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

C21H26FN5O2 — CID 109076013

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

3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076013) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109076013
• Molecular Formula: C21H26FN5O2
• Molecular Weight: 399.47 g/mol
• Exact Mass: 399.21
• IUPAC Name: 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CCN1CCN(C(=O)c2nc(C(=O)Nc3ccc(F)cc3)c3n2CCCC3)CC1
• InChI: InChI=1S/C21H26FN5O2/c1-2-25-11-13-26(14-12-25)21(29)19-24-18(17-5-3-4-10-27(17)19)20(28)23-16-8-6-15(22)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,23,28)
• InChIKey: WUOYUSKJHQQMGR-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076013) is 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

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

The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCN1CCN(C(=O)c2nc(C(=O)Nc3ccc(F)cc3)c3n2CCCC3)CC1.

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

The InChIKey is WUOYUSKJHQQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-2-25-11-13-26(14-12-25)21(29)19-24-18(17-5-3-4-10-27(17)19)20(28)23-16-8-6-15(22)7-9-16/h6-9H,2-5,10-14H2,1H3,(H,23,28).

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

3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).