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

C20H15ClF2N6O4S — CID 170437436

IUPAC5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2c(=O)n(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc2n1
InChIInChI=1S/C20H15ClF2N6O4S/c1-24-20-26-9-11-13(27-20)5-6-29(19(11)30)17-12(22)3-4-14(16(17)23)28-34(31,32)15-7-10(21)8-25-18(15)33-2/h3-9,28H,1-2H3,(H,24,26,27)
InChIKeyAQKPCXFIBPTUNF-UHFFFAOYSA-N
MW508.89 g/mol
LogP2.96
Rot. Bonds6

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

5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 170437436) has the molecular formula C20H15ClF2N6O4S and a molecular weight of 508.89 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID170437436
Molecular FormulaC20H15ClF2N6O4S
Molecular Weight508.89 g/mol
Exact Mass508.05
IUPAC Name5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2c(=O)n(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc2n1
InChIInChI=1S/C20H15ClF2N6O4S/c1-24-20-26-9-11-13(27-20)5-6-29(19(11)30)17-12(22)3-4-14(16(17)23)28-34(31,32)15-7-10(21)8-25-18(15)33-2/h3-9,28H,1-2H3,(H,24,26,27)
InChIKeyAQKPCXFIBPTUNF-UHFFFAOYSA-N
XLogP2.96
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 170437436) is 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is CNc1ncc2c(=O)n(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc2n1.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is AQKPCXFIBPTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O4S/c1-24-20-26-9-11-13(27-20)5-6-29(19(11)30)17-12(22)3-4-14(16(17)23)28-34(31,32)15-7-10(21)8-25-18(15)33-2/h3-9,28H,1-2H3,(H,24,26,27).
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 508.89 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-[2-(methylamino)-5-oxopyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 170437436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).