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

C21H18N4O2S — CID 135947190

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

2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947190) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135947190
• Molecular Formula: C21H18N4O2S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.12
• IUPAC Name: 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2ccco2)nc2c1CN(Cc1cccnc1-c1ccsc1)CC2
• InChI: InChI=1S/C21H18N4O2S/c26-21-16-12-25(8-5-17(16)23-20(24-21)18-4-2-9-27-18)11-14-3-1-7-22-19(14)15-6-10-28-13-15/h1-4,6-7,9-10,13H,5,8,11-12H2,(H,23,24,26)
• InChIKey: QAZQFQJYCIVEMY-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947190) is 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccco2)nc2c1CN(Cc1cccnc1-c1ccsc1)CC2.

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

The InChIKey is QAZQFQJYCIVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-21-16-12-25(8-5-17(16)23-20(24-21)18-4-2-9-27-18)11-14-3-1-7-22-19(14)15-6-10-28-13-15/h1-4,6-7,9-10,13H,5,8,11-12H2,(H,23,24,26).

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

2-(furan-2-yl)-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 390.47 g/mol, XLogP of 3.71, 4 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-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).