N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C22H29N5O2 — CID 109075973

About N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109075973) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 109075973
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
• SMILES: CCN1CCN(C(=O)c2nc(C(=O)NCc3ccccc3)n3c2CCCC3)CC1
• InChI: InChI=1S/C22H29N5O2/c1-2-25-12-14-26(15-13-25)22(29)19-18-10-6-7-11-27(18)20(24-19)21(28)23-16-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3,(H,23,28)
• InChIKey: ZGXUAFQBSMWULV-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109075973) is N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is CCN1CCN(C(=O)c2nc(C(=O)NCc3ccccc3)n3c2CCCC3)CC1.

What is the InChIKey of N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ZGXUAFQBSMWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-25-12-14-26(15-13-25)22(29)19-18-10-6-7-11-27(18)20(24-19)21(28)23-16-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3,(H,23,28).

What are the key properties of N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?

N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(4-ethylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109075973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).