N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H24N4O2 — CID 109068073

IUPACN-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(C(=O)N2CCCC2)n2ccccc12
InChIInChI=1S/C22H24N4O2/c27-21(23-13-8-11-17-9-2-1-3-10-17)19-18-12-4-5-16-26(18)20(24-19)22(28)25-14-6-7-15-25/h1-5,9-10,12,16H,6-8,11,13-15H2,(H,23,27)
InChIKeyVETDBJODZQXULV-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.93
Rot. Bonds6

About N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109068073) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109068073
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc(C(=O)N2CCCC2)n2ccccc12
InChIInChI=1S/C22H24N4O2/c27-21(23-13-8-11-17-9-2-1-3-10-17)19-18-12-4-5-16-26(18)20(24-19)22(28)25-14-6-7-15-25/h1-5,9-10,12,16H,6-8,11,13-15H2,(H,23,27)
InChIKeyVETDBJODZQXULV-UHFFFAOYSA-N
XLogP2.93
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-phenyl-1-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071048
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
1-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070794
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
N-[2-(dimethylamino)ethyl]-3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069570
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
N-(3-methylbutyl)-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069396

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109068073) is N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCCCc1ccccc1)c1nc(C(=O)N2CCCC2)n2ccccc12.
What is the InChIKey of N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is VETDBJODZQXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(23-13-8-11-17-9-2-1-3-10-17)19-18-12-4-5-16-26(18)20(24-19)22(28)25-14-6-7-15-25/h1-5,9-10,12,16H,6-8,11,13-15H2,(H,23,27).
What are the key properties of N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109068073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).