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CAS 1377829-50-9 Methyl iMidazo[1,5-a]pyridine-7-carboxylate molecular structure lightbox
CAS RN: 1377829-50-9

Methyl iMidazo[1,5-a]pyridine-7-carboxylate

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS1377829-50-9
  • Purity/Analytical Methods: >99.0%
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1377829-50-9 / methyl imidazo[1,5-a]pyridine-7-carboxylate

Standard CAS: 1377829-50-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1377829-50-9
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
COC(=O)C1=CC2=CN=CN2C=C1
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-11-6-10-5-8(11)4-7/h2-6H,1H3
InChIKey
ZJHLUKGFEIFPFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.53
TPSA
43.6

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.7
Consensus LogP
1.27
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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

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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