CAS RN: 119448-28-1

IMidazo[1,2-a]pyridine-2-carboxylic acid, 6-chloro-, hydrazide

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  • Product code: starshine_CAS119448-28-1
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119448-28-1 / 6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide

6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide | MFCD06797385 | Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-chloro-, hydrazide

Standard CAS: 119448-28-1 Multi CAS: No

Basic Information

CAS
119448-28-1
Multi CAS
No
Molecular Formula
C8H7ClN4O
Molecular Weight
210.620000
Exact Mass
210.030839
SMILES
C1=CC2=NC(=CN2C=C1Cl)C(=O)NN
InChI
InChI=1S/C8H7ClN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
InChIKey
IUCNOGHXJSSDJV-UHFFFAOYSA-N
Synonyms
6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide MFCD06797385 Imidazo[1,2-a]pyridine-2-carboxylic acid, 6-chloro-, hydrazide 6-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrazide DTXSID701191809

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.86
TPSA
72.42

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
1.3
Consensus LogP
0.8
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

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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