1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C22H28N4O2 — CID 109076547

IUPAC1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2n1CCCC2
InChIInChI=1S/C22H28N4O2/c1-3-24(4-2)22(28)20-23-19(18-11-7-8-13-26(18)20)21(27)25-14-12-16-9-5-6-10-17(16)15-25/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3
InChIKeySVCIHRVAFRBMMG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.90
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109076547) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109076547
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2n1CCCC2
InChIInChI=1S/C22H28N4O2/c1-3-24(4-2)22(28)20-23-19(18-11-7-8-13-26(18)20)21(27)25-14-12-16-9-5-6-10-17(16)15-25/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3
InChIKeySVCIHRVAFRBMMG-UHFFFAOYSA-N
XLogP2.90
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
1-N-benzyl-3-N,3-N-diethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076306
3-N-benzyl-1-N,1-N-diethyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076609
3-N,3-N-diethyl-1-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076716
1-N-(4-acetamidophenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076737
1-N-(3-chloro-2-methylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076721
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
1-N-(2,5-dimethylphenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076700
3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2,2-dimethyl-3-oxopropanamide
CID 108963943
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076187

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109076547) is 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is CCN(CC)C(=O)c1nc(C(=O)N2CCc3ccccc3C2)c2n1CCCC2.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SVCIHRVAFRBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-24(4-2)22(28)20-23-19(18-11-7-8-13-26(18)20)21(27)25-14-12-16-9-5-6-10-17(16)15-25/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 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,N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109076547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).