3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

C21H23N3O3 — CID 110412652

IUPAC3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc(C3CC3)n3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-17-9-6-14(13-18(17)27-2)10-11-22-21(25)19-16-5-3-4-12-24(16)20(23-19)15-7-8-15/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,22,25)
InChIKeyYRTULRNEFGEEMW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds7

About 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide

3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110412652) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110412652
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc(C3CC3)n3ccccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-17-9-6-14(13-18(17)27-2)10-11-22-21(25)19-16-5-3-4-12-24(16)20(23-19)15-7-8-15/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,22,25)
InChIKeyYRTULRNEFGEEMW-UHFFFAOYSA-N
XLogP3.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110607033
1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066061
3-cyclopropyl-N-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 54580175
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110626369
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630721
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
(6-methoxy-3-pyridinyl)methyl 3-cyclopropylimidazo[1,5-a]pyridine-1-carboxylate
CID 75399557
ethyl 4-[2-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]acetyl]piperazine-1-carboxylate
CID 110625495
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 110412652) is 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is COc1ccc(CCNC(=O)c2nc(C3CC3)n3ccccc23)cc1OC.
What is the InChIKey of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is YRTULRNEFGEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-9-6-14(13-18(17)27-2)10-11-22-21(25)19-16-5-3-4-12-24(16)20(23-19)15-7-8-15/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,22,25).
What are the key properties of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110412652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).