1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

C22H19FN3O2+ — CID 58023233

IUPAC1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12
InChIInChI=1S/C22H18FN3O2/c23-17-11-9-16(10-12-17)20-19-8-4-5-13-26(19)21(25-20)22(28)24-18(14-27)15-6-2-1-3-7-15/h1-13,18,27H,14H2,(H,24,28)/p+1/t18-/m0/s1
InChIKeyZROYMZAUIWTNBR-SFHVURJKSA-O
MW376.41 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023233) has the molecular formula C22H19FN3O2+ and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023233
Molecular FormulaC22H19FN3O2+
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12
InChIInChI=1S/C22H18FN3O2/c23-17-11-9-16(10-12-17)20-19-8-4-5-13-26(19)21(25-20)22(28)24-18(14-27)15-6-2-1-3-7-15/h1-13,18,27H,14H2,(H,24,28)/p+1/t18-/m0/s1
InChIKeyZROYMZAUIWTNBR-SFHVURJKSA-O
XLogP3.02
TPSA69.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58024052
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-(4-fluorophenyl)-N-[(1S,2R)-2-phenylcyclopropyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 69003744
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
N-(2,2-dimethyloxan-4-yl)-1-(4-fluorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58023960
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
1-(1,3-benzodioxol-5-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58024075

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023233) is 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is ZROYMZAUIWTNBR-SFHVURJKSA-O. The full InChI is InChI=1S/C22H18FN3O2/c23-17-11-9-16(10-12-17)20-19-8-4-5-13-26(19)21(25-20)22(28)24-18(14-27)15-6-2-1-3-7-15/h1-13,18,27H,14H2,(H,24,28)/p+1/t18-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).