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

C23H21N3O2S — CID 135946970

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

2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946970) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946970
• Molecular Formula: C23H21N3O2S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.14
• IUPAC Name: 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1cccc(-c2ccc(CN3CCc4nc(-c5ccco5)[nH]c(=O)c4C3)s2)c1
• InChI: InChI=1S/C23H21N3O2S/c1-15-4-2-5-16(12-15)21-8-7-17(29-21)13-26-10-9-19-18(14-26)23(27)25-22(24-19)20-6-3-11-28-20/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,25,27)
• InChIKey: SDETVTJLKZHWTQ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946970) is 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cccc(-c2ccc(CN3CCc4nc(-c5ccco5)[nH]c(=O)c4C3)s2)c1.

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

The InChIKey is SDETVTJLKZHWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-4-2-5-16(12-15)21-8-7-17(29-21)13-26-10-9-19-18(14-26)23(27)25-22(24-19)20-6-3-11-28-20/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,25,27).

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

2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 403.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).