1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide

C22H25N3O5 — CID 57486145

IUPAC1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3(CO)CCOCC3)n3ccccc23)cc1OC
InChIInChI=1S/C22H25N3O5/c1-28-17-7-6-15(13-18(17)29-2)19-16-5-3-4-10-25(16)20(23-19)21(27)24-22(14-26)8-11-30-12-9-22/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3,(H,24,27)
InChIKeyJXYNXOAAMWAEPW-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.29
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide

1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 57486145) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID57486145
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3(CO)CCOCC3)n3ccccc23)cc1OC
InChIInChI=1S/C22H25N3O5/c1-28-17-7-6-15(13-18(17)29-2)19-16-5-3-4-10-25(16)20(23-19)21(27)24-22(14-26)8-11-30-12-9-22/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3,(H,24,27)
InChIKeyJXYNXOAAMWAEPW-UHFFFAOYSA-N
XLogP2.29
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 57486133
N-[4-(hydroxymethyl)oxan-4-yl]-1-(6-piperazin-4-ium-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023227
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
CID 106296667
[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 19005849
N-[2-methoxy-4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)phenyl]propanamide
CID 141153602
1-(4-chlorophenyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134790691
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
CID 106297618
1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066061
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 67216234

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide (CID 57486145) is 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide is COc1ccc(-c2nc(C(=O)NC3(CO)CCOCC3)n3ccccc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JXYNXOAAMWAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-28-17-7-6-15(13-18(17)29-2)19-16-5-3-4-10-25(16)20(23-19)21(27)24-22(14-26)8-11-30-12-9-22/h3-7,10,13,26H,8-9,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57486145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).