2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide

C20H20FN7O2S — CID 139367430

About 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide

2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 139367430) has the molecular formula C20H20FN7O2S and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
• PubChem CID: 139367430
• Molecular Formula: C20H20FN7O2S
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.14
• IUPAC Name: 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
• SMILES: CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCCS2(=O)=O)cc(F)n1
• InChI: InChI=1S/C20H20FN7O2S/c1-13-15-12-24-20(19-22-5-2-6-23-19)25-16(15)4-8-27(13)18-11-14(10-17(21)26-18)28-7-3-9-31(28,29)30/h2,5-6,10-13H,3-4,7-9H2,1H3
• InChIKey: NIFYFZXOTWCJBG-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 105.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide?

The IUPAC name of 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide (CID 139367430) is 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide.

What is the SMILES notation for 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide?

The canonical SMILES for 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCCS2(=O)=O)cc(F)n1.

What is the InChIKey of 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide?

The InChIKey is NIFYFZXOTWCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2S/c1-13-15-12-24-20(19-22-5-2-6-23-19)25-16(15)4-8-27(13)18-11-14(10-17(21)26-18)28-7-3-9-31(28,29)30/h2,5-6,10-13H,3-4,7-9H2,1H3.

What are the key properties of 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide?

2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 441.49 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 139367430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).