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

C23H19FN3O+ — CID 58023934

IUPAC1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12
InChIInChI=1S/C23H18FN3O/c24-18-11-9-16(10-12-18)20-19-8-4-5-15-27(19)21(25-20)22(28)26-23(13-14-23)17-6-2-1-3-7-17/h1-12,15H,13-14H2,(H,26,28)/p+1
InChIKeyYYGROPYEGYOHFA-UHFFFAOYSA-O
MW372.42 g/mol
LogP3.98
Rot. Bonds4

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

1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023934) has the molecular formula C23H19FN3O+ and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023934
Molecular FormulaC23H19FN3O+
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12
InChIInChI=1S/C23H18FN3O/c24-18-11-9-16(10-12-18)20-19-8-4-5-15-27(19)21(25-20)22(28)26-23(13-14-23)17-6-2-1-3-7-17/h1-12,15H,13-14H2,(H,26,28)/p+1
InChIKeyYYGROPYEGYOHFA-UHFFFAOYSA-O
XLogP3.98
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023934) is 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is O=C(NC1(c2ccccc2)CC1)c1[nH]c(-c2ccc(F)cc2)c2cccc[n+]12.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is YYGROPYEGYOHFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H18FN3O/c24-18-11-9-16(10-12-18)20-19-8-4-5-15-27(19)21(25-20)22(28)26-23(13-14-23)17-6-2-1-3-7-17/h1-12,15H,13-14H2,(H,26,28)/p+1.
What are the key properties of 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-phenylcyclopropyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).