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

C24H21N5O2S2 — CID 135943937

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

6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943937) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943937
• Molecular Formula: C24H21N5O2S2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.11
• IUPAC Name: 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc2nc(Sc3ccc(CN4CCc5nc(-c6cccs6)[nH]c(=O)c5C4)o3)[nH]c2c1
• InChI: InChI=1S/C24H21N5O2S2/c1-14-4-6-18-19(11-14)27-24(26-18)33-21-7-5-15(31-21)12-29-9-8-17-16(13-29)23(30)28-22(25-17)20-3-2-10-32-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,27)(H,25,28,30)
• InChIKey: WCVDOFPVZBYGFU-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 90.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943937) is 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc2nc(Sc3ccc(CN4CCc5nc(-c6cccs6)[nH]c(=O)c5C4)o3)[nH]c2c1.

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

The InChIKey is WCVDOFPVZBYGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-14-4-6-18-19(11-14)27-24(26-18)33-21-7-5-15(31-21)12-29-9-8-17-16(13-29)23(30)28-22(25-17)20-3-2-10-32-20/h2-7,10-11H,8-9,12-13H2,1H3,(H,26,27)(H,25,28,30).

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

6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 475.60 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).