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CAS 1089278-50-1 5-(3-(2-chloropyriMidin-4-yl)iMidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-MethoxybenzaMide molecular structure lightbox
CAS RN: 1089278-50-1

5-(3-(2-chloropyriMidin-4-yl)iMidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-MethoxybenzaMide

  • Product code: SSC-010113
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1089278-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1089278-50-1 / 5-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide

5-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamide | 5-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide | MFCD18642949

Standard CAS: 1089278-50-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1089278-50-1
Multi CAS
No
Molecular Formula
C25H16ClF2N5O2
Molecular Weight
491.900000
Exact Mass
491.096059
SMILES
COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)C4=NC(=NC=C4)Cl)C(=O)NC5=C(C=CC=C5F)F
InChI
InChI=1S/C25H16ClF2N5O2/c1-35-19-9-8-14(13-15(19)24(34)32-22-16(27)5-4-6-17(22)28)21-23(18-10-11-29-25(26)30-18)33-12-3-2-7-20(33)31-21/h2-13H,1H3,(H,32,34)
InChIKey
ULBBNQATOALHDX-UHFFFAOYSA-N
Synonyms
5-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamide 5-[3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-methoxybenzamide MFCD18642949 C25H16ClF2N5O2 SCHEMBL310081

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
127.53
TPSA
81.41

LogP / Solubility

WLOGP
5.65
MLOGP
5.01
XLogP3
5.4
Consensus LogP
5.35
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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