3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H28N4O2 — CID 109074474

IUPAC3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)NC3CCCC3)n3c2CCCC3)cc1C
InChIInChI=1S/C22H28N4O2/c1-14-10-11-17(13-15(14)2)24-21(27)19-18-9-5-6-12-26(18)20(25-19)22(28)23-16-7-3-4-8-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYTSPEWWTXPLFGQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.76
Rot. Bonds4

About 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074474) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074474
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)NC3CCCC3)n3c2CCCC3)cc1C
InChIInChI=1S/C22H28N4O2/c1-14-10-11-17(13-15(14)2)24-21(27)19-18-9-5-6-12-26(18)20(25-19)22(28)23-16-7-3-4-8-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYTSPEWWTXPLFGQ-UHFFFAOYSA-N
XLogP3.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-cyclopentyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074492
3-N-cyclohexyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074806
3-N-cyclopentyl-1-N-[4-(dimethylamino)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074498
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
3-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077410
3-N-cycloheptyl-1-N-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076939
1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077566
1-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109077385
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072798
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075458
1-N-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074474) is 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccc(NC(=O)c2nc(C(=O)NC3CCCC3)n3c2CCCC3)cc1C.
What is the InChIKey of 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YTSPEWWTXPLFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-10-11-17(13-15(14)2)24-21(27)19-18-9-5-6-12-26(18)20(25-19)22(28)23-16-7-3-4-8-16/h10-11,13,16H,3-9,12H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).