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

C22H28N4O2 — CID 109074344

IUPAC1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2nc(C(=O)NC3CCCC3)c3n2CCCC3)c1
InChIInChI=1S/C22H28N4O2/c1-15-7-6-8-16(13-15)14-23-22(28)20-25-19(18-11-4-5-12-26(18)20)21(27)24-17-9-2-3-10-17/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,23,28)(H,24,27)
InChIKeyZLGNQORMNRCRJK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.13
Rot. Bonds5

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

1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074344) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074344
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)c2nc(C(=O)NC3CCCC3)c3n2CCCC3)c1
InChIInChI=1S/C22H28N4O2/c1-15-7-6-8-16(13-15)14-23-22(28)20-25-19(18-11-4-5-12-26(18)20)21(27)24-17-9-2-3-10-17/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,23,28)(H,24,27)
InChIKeyZLGNQORMNRCRJK-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
3-N-[(3-methylphenyl)methyl]-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072122
1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076181
3-N-[(4-chlorophenyl)methyl]-1-N-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072747
3-N-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074774
3-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076255
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
3-N-cyclopentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074445
1-N-[(4-methylphenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072278
3-N-benzyl-1-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076217

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074344) is 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(CNC(=O)c2nc(C(=O)NC3CCCC3)c3n2CCCC3)c1.
What is the InChIKey of 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ZLGNQORMNRCRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-7-6-8-16(13-15)14-23-22(28)20-25-19(18-11-4-5-12-26(18)20)21(27)24-17-9-2-3-10-17/h6-8,13,17H,2-5,9-12,14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).