4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

C19H22N6O3 — CID 167989679

About 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide

4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (PubChem CID 167989679) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
• PubChem CID: 167989679
• Molecular Formula: C19H22N6O3
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.18
• IUPAC Name: 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
• SMILES: NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NCCC3CCCNC3)nc12
• InChI: InChI=1S/C19H22N6O3/c20-17(26)16-18-24-13(19(27)22-7-5-12-3-1-6-21-10-12)9-14(25(18)11-23-16)15-4-2-8-28-15/h2,4,8-9,11-12,21H,1,3,5-7,10H2,(H2,20,26)(H,22,27)
• InChIKey: VDHQGYHHPXJAMK-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 127.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?

The IUPAC name of 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide (CID 167989679) is 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide.

What is the SMILES notation for 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?

The canonical SMILES for 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is NC(=O)c1ncn2c(-c3ccco3)cc(C(=O)NCCC3CCCNC3)nc12.

What is the InChIKey of 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?

The InChIKey is VDHQGYHHPXJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c20-17(26)16-18-24-13(19(27)22-7-5-12-3-1-6-21-10-12)9-14(25(18)11-23-16)15-4-2-8-28-15/h2,4,8-9,11-12,21H,1,3,5-7,10H2,(H2,20,26)(H,22,27).

What are the key properties of 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide?

4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-2-N-(2-piperidin-3-ylethyl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide is sourced from PubChem (CID 167989679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).