N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

C20H15ClF2N6O4S — CID 170437498

About N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (PubChem CID 170437498) has the molecular formula C20H15ClF2N6O4S and a molecular weight of 508.89 g/mol. Its IUPAC name is N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
• PubChem CID: 170437498
• Molecular Formula: C20H15ClF2N6O4S
• Molecular Weight: 508.89 g/mol
• Exact Mass: 508.05
• IUPAC Name: N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-n2cc(C)c3nc(N)ncc3c2=O)c1F
• InChI: InChI=1S/C20H15ClF2N6O4S/c1-9-8-29(19(30)11-7-26-20(24)27-16(9)11)17-12(22)3-4-13(15(17)23)28-34(31,32)14-5-10(21)6-25-18(14)33-2/h3-8,28H,1-2H3,(H2,24,26,27)
• InChIKey: YORKPBKJDVAUAX-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 142.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.89
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The IUPAC name of N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (CID 170437498) is N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

What is the SMILES notation for N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The canonical SMILES for N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-n2cc(C)c3nc(N)ncc3c2=O)c1F.

What is the InChIKey of N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

The InChIKey is YORKPBKJDVAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O4S/c1-9-8-29(19(30)11-7-26-20(24)27-16(9)11)17-12(22)3-4-13(15(17)23)28-34(31,32)14-5-10(21)6-25-18(14)33-2/h3-8,28H,1-2H3,(H2,24,26,27).

What are the key properties of N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?

N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide has a molecular weight of 508.89 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-amino-8-methyl-5-oxopyrido[4,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 170437498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).