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

C20H23FN4O3 — CID 109075588

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

1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075588) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109075588
• Molecular Formula: C20H23FN4O3
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.18
• IUPAC Name: 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: O=C(Nc1ccc(F)cc1)c1nc(C(=O)NCC2CCCO2)n2c1CCCC2
• InChI: InChI=1S/C20H23FN4O3/c21-13-6-8-14(9-7-13)23-19(26)17-16-5-1-2-10-25(16)18(24-17)20(27)22-12-15-4-3-11-28-15/h6-9,15H,1-5,10-12H2,(H,22,27)(H,23,26)
• InChIKey: DGJXWHIYQHVIAH-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075588) is 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

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

The canonical SMILES for 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1ccc(F)cc1)c1nc(C(=O)NCC2CCCO2)n2c1CCCC2.

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

The InChIKey is DGJXWHIYQHVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-13-6-8-14(9-7-13)23-19(26)17-16-5-1-2-10-25(16)18(24-17)20(27)22-12-15-4-3-11-28-15/h6-9,15H,1-5,10-12H2,(H,22,27)(H,23,26).

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

1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(4-fluorophenyl)-3-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).