CAS RN: 1015231-98-7

2-(3-(2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl)phenyl)propan-2-ol

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  • Product code: starshine_CAS1015231-98-7
  • Purity/Analytical Methods: >99.0%
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1015231-98-7 / 2-[3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]propan-2-ol

2-(3-(2-(4-chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol | 2-{3-[2-(4-chlorophenyl)imidazo[1,2-a]-pyridin-6-yl]phenyl}propan-2-ol | RefChem:909211

Standard CAS: 1015231-98-7 Multi CAS: No

Basic Information

CAS
1015231-98-7
Multi CAS
No
Molecular Formula
C22H19ClN2O
Molecular Weight
362.800000
Exact Mass
362.118591
SMILES
CC(C)(C1=CC=CC(=C1)C2=CN3C=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C22H19ClN2O/c1-22(2,26)18-5-3-4-16(12-18)17-8-11-21-24-20(14-25(21)13-17)15-6-9-19(23)10-7-15/h3-14,26H,1-2H3
InChIKey
YQUSXNRKHZXSGH-UHFFFAOYSA-N
Synonyms
2-(3-(2-(4-chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol 2-{3-[2-(4-chlorophenyl)imidazo[1,2-a]-pyridin-6-yl]phenyl}propan-2-ol RefChem:909211 NOT Receptor Modulator 1 2-(3-(2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl)phenyl)propan-2-ol

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.32
TPSA
37.53

LogP / Solubility

WLOGP
5.55
MLOGP
4.9
XLogP3
5.4
Consensus LogP
5.28
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

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

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