5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C21H17ClF2N6O3S — CID 163369387

About 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 163369387) has the molecular formula C21H17ClF2N6O3S and a molecular weight of 506.92 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• PubChem CID: 163369387
• Molecular Formula: C21H17ClF2N6O3S
• Molecular Weight: 506.92 g/mol
• Exact Mass: 506.07
• IUPAC Name: 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
• SMILES: CNc1ncc2cc(-c3cc(NS(=O)(=O)c4cc(Cl)cnc4OC)c(F)cc3F)c(C)nc2n1
• InChI: InChI=1S/C21H17ClF2N6O3S/c1-10-13(4-11-8-27-21(25-2)29-19(11)28-10)14-6-17(16(24)7-15(14)23)30-34(31,32)18-5-12(22)9-26-20(18)33-3/h4-9,30H,1-3H3,(H,25,27,28,29)
• InChIKey: KQGOVSGLFIBMQC-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 118.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.92
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The IUPAC name of 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 163369387) is 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is CNc1ncc2cc(-c3cc(NS(=O)(=O)c4cc(Cl)cnc4OC)c(F)cc3F)c(C)nc2n1.

What is the InChIKey of 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

The InChIKey is KQGOVSGLFIBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N6O3S/c1-10-13(4-11-8-27-21(25-2)29-19(11)28-10)14-6-17(16(24)7-15(14)23)30-34(31,32)18-5-12(22)9-26-20(18)33-3/h4-9,30H,1-3H3,(H,25,27,28,29).

What are the key properties of 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?

5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 506.92 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2,4-difluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 163369387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).