1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H30N4O2 — CID 109076181

IUPAC1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C23H30N4O2/c28-22(24-16-17-10-4-3-5-11-17)20-19-14-8-9-15-27(19)21(26-20)23(29)25-18-12-6-1-2-7-13-18/h3-5,10-11,18H,1-2,6-9,12-16H2,(H,24,28)(H,25,29)
InChIKeyFQVWSVLIZNKNDL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.60
Rot. Bonds5

About 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076181) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076181
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C23H30N4O2/c28-22(24-16-17-10-4-3-5-11-17)20-19-14-8-9-15-27(19)21(26-20)23(29)25-18-12-6-1-2-7-13-18/h3-5,10-11,18H,1-2,6-9,12-16H2,(H,24,28)(H,25,29)
InChIKeyFQVWSVLIZNKNDL-UHFFFAOYSA-N
XLogP3.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.60
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-cyclohexyl-1-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074774
3-N-cyclopentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074445
1-N-cyclopentyl-3-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074344
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
3-N-[(4-chlorophenyl)methyl]-1-N-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072747
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526
3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074451
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
3-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075626

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076181) is 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1ccccc1)c1nc(C(=O)NC2CCCCCC2)n2c1CCCC2.
What is the InChIKey of 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is FQVWSVLIZNKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22(24-16-17-10-4-3-5-11-17)20-19-14-8-9-15-27(19)21(26-20)23(29)25-18-12-6-1-2-7-13-18/h3-5,10-11,18H,1-2,6-9,12-16H2,(H,24,28)(H,25,29).
What are the key properties of 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).