2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine

C16H16N4O2S2 — CID 24917128

About 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine

2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine (PubChem CID 24917128) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
• PubChem CID: 24917128
• Molecular Formula: C16H16N4O2S2
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.07
• IUPAC Name: 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
• SMILES: CS(=O)(=O)c1ncc2c(n1)CCN(Cc1cc3cccnc3s1)C2
• InChI: InChI=1S/C16H16N4O2S2/c1-24(21,22)16-18-8-12-9-20(6-4-14(12)19-16)10-13-7-11-3-2-5-17-15(11)23-13/h2-3,5,7-8H,4,6,9-10H2,1H3
• InChIKey: IGKVWXDOFGUURP-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 76.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The IUPAC name of 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine (CID 24917128) is 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine.

What is the SMILES notation for 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The canonical SMILES for 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine is CS(=O)(=O)c1ncc2c(n1)CCN(Cc1cc3cccnc3s1)C2.

What is the InChIKey of 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

The InChIKey is IGKVWXDOFGUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-24(21,22)16-18-8-12-9-20(6-4-14(12)19-16)10-13-7-11-3-2-5-17-15(11)23-13/h2-3,5,7-8H,4,6,9-10H2,1H3.

What are the key properties of 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine?

2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine has a molecular weight of 360.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 24917128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).