8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C26H22F3N5O4S — CID 11238301

About 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 11238301) has the molecular formula C26H22F3N5O4S and a molecular weight of 557.55 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 11238301
• Molecular Formula: C26H22F3N5O4S
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.13
• IUPAC Name: 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCS(=O)(=O)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F
• InChI: InChI=1S/C26H22F3N5O4S/c1-15-13-16(27)5-6-17(15)23-18-7-8-21(35)34(24-19(28)3-2-4-20(24)29)25(18)32-26(31-23)30-14-22(36)33-9-11-39(37,38)12-10-33/h2-8,13H,9-12,14H2,1H3,(H,30,31,32)
• InChIKey: BOOIPNMHEODGQL-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 114.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.55
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 11238301) is 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCC(=O)N2CCS(=O)(=O)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F.

What is the InChIKey of 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BOOIPNMHEODGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O4S/c1-15-13-16(27)5-6-17(15)23-18-7-8-21(35)34(24-19(28)3-2-4-20(24)29)25(18)32-26(31-23)30-14-22(36)33-9-11-39(37,38)12-10-33/h2-8,13H,9-12,14H2,1H3,(H,30,31,32).

What are the key properties of 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?

8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 557.55 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-difluorophenyl)-2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11238301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).