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CAS 1042224-63-4 6-Imidazo[1,2-a]pyridin-3-yl-N-4-piperidinyl-2-pyridinamine molecular structure lightbox
CAS RN: 1042224-63-4

6-Imidazo[1,2-a]pyridin-3-yl-N-4-piperidinyl-2-pyridinamine

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  • Product code: starshine_CAS1042224-63-4
  • Purity/Analytical Methods: >99.0%
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1042224-63-4 / 6-imidazo[1,2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine

IRAK inhibitor 1 | 6-(Imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl)pyridin-2-amine | CHEMBL258004

Standard CAS: 1042224-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1042224-63-4
Multi CAS
No
Molecular Formula
C17H19N5
Molecular Weight
293.400000
Exact Mass
293.164046
SMILES
C1CNCCC1NC2=CC=CC(=N2)C3=CN=C4N3C=CC=C4
InChI
InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
InChIKey
HUYUPQNBDBTPQQ-UHFFFAOYSA-N
Synonyms
IRAK inhibitor 1 6-(Imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl)pyridin-2-amine CHEMBL258004 6-imidazo[1,2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine 6-Imidazo[1,2-a]pyridin-3-yl-N-4-piperidinyl-2-pyridinamine

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.94
TPSA
54.25

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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