2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H17N5O2 — CID 135944770

About 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944770) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135944770
• Molecular Formula: C16H17N5O2
• Molecular Weight: 311.34 g/mol
• Exact Mass: 311.14
• IUPAC Name: 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cnc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)c1
• InChI: InChI=1S/C16H17N5O2/c1-20-7-11(17-10-20)8-21-5-4-13-12(9-21)16(22)19-15(18-13)14-3-2-6-23-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,22)
• InChIKey: DEADCBJCBGBKDE-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 79.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.34
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944770) is 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cn1cnc(CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)c1.

What is the InChIKey of 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is DEADCBJCBGBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-7-11(17-10-20)8-21-5-4-13-12(9-21)16(22)19-15(18-13)14-3-2-6-23-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,22).

What are the key properties of 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 311.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).