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CAS 1644069-80-6 N-(5-((3-(3-fluorophenyl)ureido)methyl)-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide molecular structure lightbox
CAS RN: 1644069-80-6

N-(5-((3-(3-fluorophenyl)ureido)methyl)-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1644069-80-6
  • Purity/Analytical Methods: >99.0%
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1644069-80-6 / N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

Standard CAS: 1644069-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644069-80-6
Multi CAS
No
Molecular Formula
C23H20FN5O2
Molecular Weight
417.400000
Exact Mass
417.160103
SMILES
CC1=C(C=C(C=C1)CNC(=O)NC2=CC(=CC=C2)F)NC(=O)C3=CN=C4N3C=CC=C4
InChI
InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)
InChIKey
ZPVUIOVIUFJGHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.58
TPSA
87.53

LogP / Solubility

WLOGP
4.36
MLOGP
3.86
XLogP3
3.9
Consensus LogP
4.04
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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