1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide

C21H22N4O2 — CID 109066049

IUPAC1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCNC(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2ccccn12
InChIInChI=1S/C21H22N4O2/c1-2-11-22-20(26)19-23-18(17-9-5-6-12-25(17)19)21(27)24-13-10-15-7-3-4-8-16(15)14-24/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,26)
InChIKeyGKUQGQMOQIOFMJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.67
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide

1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109066049) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109066049
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCNC(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2ccccn12
InChIInChI=1S/C21H22N4O2/c1-2-11-22-20(26)19-23-18(17-9-5-6-12-25(17)19)21(27)24-13-10-15-7-3-4-8-16(15)14-24/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,26)
InChIKeyGKUQGQMOQIOFMJ-UHFFFAOYSA-N
XLogP2.67
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindole-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066086
N-cyclopentyl-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068289
3,4-dihydro-1H-isoquinolin-2-yl-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068488
3-(4-methylpiperazine-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-1-carboxamide
CID 109065869
N-(2-methoxyethyl)-1-(morpholine-4-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068979
1-N-(3,4-dimethylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066090
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
1-N-(4-tert-butylphenyl)-3-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066104
N-(3-methylbutyl)-1-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109071303
N-cyclopropyl-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066655
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
1,3-dihydroisoindol-2-yl-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 167853594

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide (CID 109066049) is 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide is CCCNC(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2ccccn12.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GKUQGQMOQIOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-11-22-20(26)19-23-18(17-9-5-6-12-25(17)19)21(27)24-13-10-15-7-3-4-8-16(15)14-24/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide?
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109066049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).