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CAS 1044770-70-8 5-chloro-3-isopropyl-2-methyl-3H-imidazo[4,5-b]pyridine molecular structure lightbox
CAS RN: 1044770-70-8

5-chloro-3-isopropyl-2-methyl-3H-imidazo[4,5-b]pyridine

  • Product code: SSC-006273
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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: 0.25g
  • 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 1044770-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1044770-70-8 / 5-chloro-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

5-CHLORO-3-ISOPROPYL-2-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE | MFCD11047131 | 5-chloro-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

Standard CAS: 1044770-70-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1044770-70-8
Multi CAS
Yes
Molecular Formula
C10H12ClN3
Molecular Weight
209.670000
Exact Mass
209.071975
SMILES
CC1=NC2=C(N1C(C)C)N=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN3/c1-6(2)14-7(3)12-8-4-5-9(11)13-10(8)14/h4-6H,1-3H3
InChIKey
QEUZYUFHFPLSQO-UHFFFAOYSA-N
Synonyms
5-CHLORO-3-ISOPROPYL-2-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE MFCD11047131 5-chloro-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine 5-Chloro-2-methyl-3-(1-methylethyl)-3h-imidazo[4,5-b]pyridine SCHEMBL21522732

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.66
TPSA
30.71

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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