1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide

C21H22FN3O3 — CID 57486133

IUPAC1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1-c1nc(C(=O)NC2(CO)CCOCC2)n2ccccc12
InChIInChI=1S/C21H22FN3O3/c1-14-12-15(22)5-6-16(14)18-17-4-2-3-9-25(17)19(23-18)20(27)24-21(13-26)7-10-28-11-8-21/h2-6,9,12,26H,7-8,10-11,13H2,1H3,(H,24,27)
InChIKeyJJBLRSKNBYPUQD-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide

1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 57486133) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID57486133
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1-c1nc(C(=O)NC2(CO)CCOCC2)n2ccccc12
InChIInChI=1S/C21H22FN3O3/c1-14-12-15(22)5-6-16(14)18-17-4-2-3-9-25(17)19(23-18)20(27)24-21(13-26)7-10-28-11-8-21/h2-6,9,12,26H,7-8,10-11,13H2,1H3,(H,24,27)
InChIKeyJJBLRSKNBYPUQD-UHFFFAOYSA-N
XLogP2.72
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 57486145
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]naphthalene-2-carboxamide
CID 103954237
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
CID 106297618
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide (CID 57486133) is 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide is Cc1cc(F)ccc1-c1nc(C(=O)NC2(CO)CCOCC2)n2ccccc12.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JJBLRSKNBYPUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14-12-15(22)5-6-16(14)18-17-4-2-3-9-25(17)19(23-18)20(27)24-21(13-26)7-10-28-11-8-21/h2-6,9,12,26H,7-8,10-11,13H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[4-(hydroxymethyl)oxan-4-yl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57486133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).