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CAS 158001-04-8 Ethyl imidazo[1,2-a]pyridine-6-carboxylate molecular structure lightbox
CAS RN: 158001-04-8

Ethyl imidazo[1,2-a]pyridine-6-carboxylate

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Batchno.20251022 1g / 5g / 50g Out of stock 5-7 business days Inquiry
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158001-04-8 / ethyl imidazo[1,2-a]pyridine-6-carboxylate

ethyl imidazo[1,2-a]pyridine-6-carboxylate | imidazo[1,2-a]pyridine-6-carboxylic acid ethyl ester | MFCD13176746

Standard CAS: 158001-04-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
158001-04-8
Multi CAS
Yes
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CCOC(=O)C1=CN2C=CN=C2C=C1
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-3-4-9-11-5-6-12(9)7-8/h3-7H,2H2,1H3
InChIKey
QPESMSWFRPZADJ-UHFFFAOYSA-N
Synonyms
ethyl imidazo[1,2-a]pyridine-6-carboxylate imidazo[1,2-a]pyridine-6-carboxylic acid ethyl ester MFCD13176746 Imidazo[1,2-a]pyridine-6-carboxylic acid, ethyl ester ethylimidazo[1,2-a]pyridine-6-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.15
TPSA
43.6

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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