3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H27FN4O2 — CID 109074451

About 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074451) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109074451
• Molecular Formula: C22H27FN4O2
• Molecular Weight: 398.48 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: O=C(NCCc1ccc(F)cc1)c1nc(C(=O)NC2CCCC2)n2c1CCCC2
• InChI: InChI=1S/C22H27FN4O2/c23-16-10-8-15(9-11-16)12-13-24-21(28)19-18-7-3-4-14-27(18)20(26-19)22(29)25-17-5-1-2-6-17/h8-11,17H,1-7,12-14H2,(H,24,28)(H,25,29)
• InChIKey: NEFWGWAWURRMJM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074451) is 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1nc(C(=O)NC2CCCC2)n2c1CCCC2.

What is the InChIKey of 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is NEFWGWAWURRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-16-10-8-15(9-11-16)12-13-24-21(28)19-18-7-3-4-14-27(18)20(26-19)22(29)25-17-5-1-2-6-17/h8-11,17H,1-7,12-14H2,(H,24,28)(H,25,29).

What are the key properties of 3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-cyclopentyl-1-N-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.00, 6 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-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).