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

C21H18ClFN6O2S — CID 163369527

IUPAC5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cc(F)cc(NS(=O)(=O)c4cc(Cl)cnc4C)c3)c(C)nc2n1
InChIInChI=1S/C21H18ClFN6O2S/c1-11-18(6-14-9-26-21(24-3)28-20(14)27-11)13-4-16(23)8-17(5-13)29-32(30,31)19-7-15(22)10-25-12(19)2/h4-10,29H,1-3H3,(H,24,26,27,28)
InChIKeyRYPLGYWIVJCLDP-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.34
Rot. Bonds5

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

5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (PubChem CID 163369527) has the molecular formula C21H18ClFN6O2S and a molecular weight of 472.93 g/mol. Its IUPAC name is 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
PubChem CID163369527
Molecular FormulaC21H18ClFN6O2S
Molecular Weight472.93 g/mol
Exact Mass472.09
IUPAC Name5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cc(F)cc(NS(=O)(=O)c4cc(Cl)cnc4C)c3)c(C)nc2n1
InChIInChI=1S/C21H18ClFN6O2S/c1-11-18(6-14-9-26-21(24-3)28-20(14)27-11)13-4-16(23)8-17(5-13)29-32(30,31)19-7-15(22)10-25-12(19)2/h4-10,29H,1-3H3,(H,24,26,27,28)
InChIKeyRYPLGYWIVJCLDP-UHFFFAOYSA-N
XLogP4.34
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-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-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide (CID 163369527) is 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is CNc1ncc2cc(-c3cc(F)cc(NS(=O)(=O)c4cc(Cl)cnc4C)c3)c(C)nc2n1.
What is the InChIKey of 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is RYPLGYWIVJCLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O2S/c1-11-18(6-14-9-26-21(24-3)28-20(14)27-11)13-4-16(23)8-17(5-13)29-32(30,31)19-7-15(22)10-25-12(19)2/h4-10,29H,1-3H3,(H,24,26,27,28).
What are the key properties of 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide?
5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 472.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-fluoro-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 163369527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).