[5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol

C17H17N3O2S — CID 24908656

About [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol

[5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (PubChem CID 24908656) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• PubChem CID: 24908656
• Molecular Formula: C17H17N3O2S
• Molecular Weight: 327.41 g/mol
• Exact Mass: 327.10
• IUPAC Name: [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
• SMILES: OCc1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)o1
• InChI: InChI=1S/C17H17N3O2S/c21-11-14-4-3-13(22-14)10-20-6-5-15-12(9-20)8-18-17(19-15)16-2-1-7-23-16/h1-4,7-8,21H,5-6,9-11H2
• InChIKey: LQACHOCKWZBPRO-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.41
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The IUPAC name of [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol (CID 24908656) is [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol.

What is the SMILES notation for [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The canonical SMILES for [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is OCc1ccc(CN2CCc3nc(-c4cccs4)ncc3C2)o1.

What is the InChIKey of [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

The InChIKey is LQACHOCKWZBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-11-14-4-3-13(22-14)10-20-6-5-15-12(9-20)8-18-17(19-15)16-2-1-7-23-16/h1-4,7-8,21H,5-6,9-11H2.

What are the key properties of [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol?

[5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol has a molecular weight of 327.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 24908656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).