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

C18H21ClN6O3 — CID 119536122

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

2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (PubChem CID 119536122) has the molecular formula C18H21ClN6O3 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
• PubChem CID: 119536122
• Molecular Formula: C18H21ClN6O3
• Molecular Weight: 404.86 g/mol
• Exact Mass: 404.14
• IUPAC Name: 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
• SMILES: Cl.NC(=O)c1ncn2c(C(=O)NCCC3CCNC3)cc(-c3ccco3)nc12
• InChI: InChI=1S/C18H20N6O3.ClH/c19-16(25)15-17-23-12(14-2-1-7-27-14)8-13(24(17)10-22-15)18(26)21-6-4-11-3-5-20-9-11;/h1-2,7-8,10-11,20H,3-6,9H2,(H2,19,25)(H,21,26);1H
• InChIKey: LXVQVQUOTMNFQH-UHFFFAOYSA-N
• XLogP: 1.24
• 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	404.86
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride (CID 119536122) is 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride.

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

The canonical SMILES for 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is Cl.NC(=O)c1ncn2c(C(=O)NCCC3CCNC3)cc(-c3ccco3)nc12.

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

The InChIKey is LXVQVQUOTMNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3.ClH/c19-16(25)15-17-23-12(14-2-1-7-27-14)8-13(24(17)10-22-15)18(26)21-6-4-11-3-5-20-9-11;/h1-2,7-8,10-11,20H,3-6,9H2,(H2,19,25)(H,21,26);1H.

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

2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride has a molecular weight of 404.86 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-4-N-(2-pyrrolidin-3-ylethyl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride is sourced from PubChem (CID 119536122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).