3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H32N6O3 — CID 131670872

IUPAC3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12
InChIInChI=1S/C22H32N6O3/c1-25(2)22(30)28-12-5-8-18(28)20-24-19(17-7-3-4-11-27(17)20)21(29)23-9-6-10-26-13-15-31-16-14-26/h3-4,7,11,18H,5-6,8-10,12-16H2,1-2H3,(H,23,29)
InChIKeyXBEHOYUCXKVQDB-UHFFFAOYSA-N
MW428.54 g/mol
LogP1.60
Rot. Bonds6

About 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 131670872) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID131670872
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12
InChIInChI=1S/C22H32N6O3/c1-25(2)22(30)28-12-5-8-18(28)20-24-19(17-7-3-4-11-27(17)20)21(29)23-9-6-10-26-13-15-31-16-14-26/h3-4,7,11,18H,5-6,8-10,12-16H2,1-2H3,(H,23,29)
InChIKeyXBEHOYUCXKVQDB-UHFFFAOYSA-N
XLogP1.60
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831030
3-(1-benzoylpyrrolidin-2-yl)-N-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155826621
N-benzyl-3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
CID 131670904
N-(3-acetamidopropyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630719
N-(3-acetamidopropyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630721
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(3-methylbutyl)-3-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109069396
1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745480
N-(3-morpholin-4-ylpropyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
CID 43819250
N-(2-benzamidoethyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630596
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 110626369

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 131670872) is 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is CN(C)C(=O)N1CCCC1c1nc(C(=O)NCCCN2CCOCC2)c2ccccn12.
What is the InChIKey of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XBEHOYUCXKVQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-25(2)22(30)28-12-5-8-18(28)20-24-19(17-7-3-4-11-27(17)20)21(29)23-9-6-10-26-13-15-31-16-14-26/h3-4,7,11,18H,5-6,8-10,12-16H2,1-2H3,(H,23,29).
What are the key properties of 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 131670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).