CAS RN: 1186310-78-0

N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide

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  • Product code: starshine_CAS1186310-78-0
  • Purity/Analytical Methods: >99.0%
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1186310-78-0 / N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide

N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide | N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide | MFCD12922818

Standard CAS: 1186310-78-0 Multi CAS: No

Basic Information

CAS
1186310-78-0
Multi CAS
No
Molecular Formula
C10H12N4O2
Molecular Weight
220.230000
Exact Mass
220.096026
SMILES
CN1C=NC2=C1N=CC(=C2)C(=O)N(C)OC
InChI
InChI=1S/C10H12N4O2/c1-13-6-12-8-4-7(5-11-9(8)13)10(15)14(2)16-3/h4-6H,1-3H3
InChIKey
CVCSGAZQUBEXLJ-UHFFFAOYSA-N
Synonyms
N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide N-methoxy-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide MFCD12922818 DTXSID00674129 AKOS015852617

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
57.61
TPSA
60.25

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.64

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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