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CAS 18233-05-1 3H-IMidazo[4,5-c]pyridine, 7-Methyl- molecular structure lightbox
CAS RN: 18233-05-1

3H-IMidazo[4,5-c]pyridine, 7-Methyl-

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Batchno.20251128 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS18233-05-1
  • Purity/Analytical Methods: >99.0%
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18233-05-1 / 7-methyl-3H-imidazo[4,5-c]pyridine

Standard CAS: 18233-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18233-05-1
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
CC1=CN=CC2=C1N=CN2
InChI
InChI=1S/C7H7N3/c1-5-2-8-3-6-7(5)10-4-9-6/h2-4H,1H3,(H,9,10)
InChIKey
KOQQEILSRFHKPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.63
TPSA
41.57

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.63

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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