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CAS 1186310-79-1 3-METHYL-3H-IMIDAZO[4,5-B]pyridine molecular structure lightbox
CAS RN: 1186310-79-1

3-METHYL-3H-IMIDAZO[4,5-B]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1186310-79-1
  • Purity/Analytical Methods: >99.0%
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1186310-79-1 / (3-methylimidazo[4,5-b]pyridin-6-yl)methanol

(3-Methyl-3H-imidazo[4,5-b]pyridin-6-yl)methanol | (3-methylimidazo[4,5-b]pyridin-6-yl)methanol | MFCD12922815

Standard CAS: 1186310-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186310-79-1
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
SMILES
CN1C=NC2=C1N=CC(=C2)CO
InChI
InChI=1S/C8H9N3O/c1-11-5-10-7-2-6(4-12)3-9-8(7)11/h2-3,5,12H,4H2,1H3
InChIKey
STMKCIRFGMBDGB-UHFFFAOYSA-N
Synonyms
(3-Methyl-3H-imidazo[4,5-b]pyridin-6-yl)methanol (3-methylimidazo[4,5-b]pyridin-6-yl)methanol MFCD12922815 DTXSID20674126 AKOS006333249

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.43
TPSA
50.94

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-0.2
Consensus LogP
0.22
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.39

Drug-likeness / Medicinal Chemistry

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

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