1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

C23H19ClN3O+ — CID 58023569

IUPAC1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1[nH]c(-c2cccc(Cl)c2)c2cccc[n+]12
InChIInChI=1S/C23H18ClN3O/c24-18-9-5-8-17(12-18)21-20-10-3-4-11-27(20)22(26-21)23(28)25-19-13-15-6-1-2-7-16(15)14-19/h1-12,19H,13-14H2,(H,25,28)/p+1
InChIKeyWBLYQOFLHDQTAG-UHFFFAOYSA-O
MW388.88 g/mol
LogP3.97
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023569) has the molecular formula C23H19ClN3O+ and a molecular weight of 388.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023569
Molecular FormulaC23H19ClN3O+
Molecular Weight388.88 g/mol
Exact Mass388.12
IUPAC Name1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1[nH]c(-c2cccc(Cl)c2)c2cccc[n+]12
InChIInChI=1S/C23H18ClN3O/c24-18-9-5-8-17(12-18)21-20-10-3-4-11-27(20)22(26-21)23(28)25-19-13-15-6-1-2-7-16(15)14-19/h1-12,19H,13-14H2,(H,25,28)/p+1
InChIKeyWBLYQOFLHDQTAG-UHFFFAOYSA-O
XLogP3.97
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.97
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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Related Compounds

1-(3-chlorophenyl)-N-(3,3-dimethylbutan-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58024028
[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 58023825
1-[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanone
CID 58023873
N-[1-(1,2,3,3a-tetrahydrocyclohepta[b]pyrrol-8-yl)-2,2,2-trifluoroethyl]-1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 163807955
[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-[3-[4-(dimethylamino)phenyl]pyrrolidin-1-yl]methanone
CID 58024026
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
CID 104693585
1-pyridin-1-ium-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide;bis(2,2,2-trifluoroacetate)
CID 87652513
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
3-(3-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023303
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750
1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58023233

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023569) is 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is O=C(NC1Cc2ccccc2C1)c1[nH]c(-c2cccc(Cl)c2)c2cccc[n+]12.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is WBLYQOFLHDQTAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H18ClN3O/c24-18-9-5-8-17(12-18)21-20-10-3-4-11-27(20)22(26-21)23(28)25-19-13-15-6-1-2-7-16(15)14-19/h1-12,19H,13-14H2,(H,25,28)/p+1.
What are the key properties of 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).