2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide

C27H27F2N5O5S — CID 140828753

About 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 140828753) has the molecular formula C27H27F2N5O5S and a molecular weight of 571.61 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 140828753
• Molecular Formula: C27H27F2N5O5S
• Molecular Weight: 571.61 g/mol
• Exact Mass: 571.17
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc(OCCC4CCNCC4)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C27H27F2N5O5S/c1-38-26-22(33-40(36,37)24-4-3-20(28)13-21(24)29)12-19(14-32-26)18-2-5-25-31-15-23(27(35)34(25)16-18)39-11-8-17-6-9-30-10-7-17/h2-5,12-17,30,33H,6-11H2,1H3
• InChIKey: VNIOEUDOYYCCQF-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 123.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.61
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide (CID 140828753) is 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(OCCC4CCNCC4)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is VNIOEUDOYYCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O5S/c1-38-26-22(33-40(36,37)24-4-3-20(28)13-21(24)29)12-19(14-32-26)18-2-5-25-31-15-23(27(35)34(25)16-18)39-11-8-17-6-9-30-10-7-17/h2-5,12-17,30,33H,6-11H2,1H3.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide?

2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 571.61 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 140828753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).