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

C20H25N5O3 — CID 109075509

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

1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075509) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109075509
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: O=C(NCC1CCCO1)c1nc(C(=O)NCc2ccncc2)n2c1CCCC2
• InChI: InChI=1S/C20H25N5O3/c26-19(23-13-15-4-3-11-28-15)17-16-5-1-2-10-25(16)18(24-17)20(27)22-12-14-6-8-21-9-7-14/h6-9,15H,1-5,10-13H2,(H,22,27)(H,23,26)
• InChIKey: FWLCFYUMEGXWAK-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075509) is 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

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

The canonical SMILES for 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCC1CCCO1)c1nc(C(=O)NCc2ccncc2)n2c1CCCC2.

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

The InChIKey is FWLCFYUMEGXWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(23-13-15-4-3-11-28-15)17-16-5-1-2-10-25(16)18(24-17)20(27)22-12-14-6-8-21-9-7-14/h6-9,15H,1-5,10-13H2,(H,22,27)(H,23,26).

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

1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(oxolan-2-ylmethyl)-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).