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

C21H19ClFN7O2S — CID 163369490

IUPAC5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4NC)c3F)c(C)nc2n1
InChIInChI=1S/C21H19ClFN7O2S/c1-11-15(7-12-9-27-21(25-3)29-19(12)28-11)14-5-4-6-16(18(14)23)30-33(31,32)17-8-13(22)10-26-20(17)24-2/h4-10,30H,1-3H3,(H,24,26)(H,25,27,28,29)
InChIKeyIIIOQUVCTDJMAR-UHFFFAOYSA-N
MW487.95 g/mol
LogP4.07
Rot. Bonds6

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

5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 163369490) has the molecular formula C21H19ClFN7O2S and a molecular weight of 487.95 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide
PubChem CID163369490
Molecular FormulaC21H19ClFN7O2S
Molecular Weight487.95 g/mol
Exact Mass487.10
IUPAC Name5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4NC)c3F)c(C)nc2n1
InChIInChI=1S/C21H19ClFN7O2S/c1-11-15(7-12-9-27-21(25-3)29-19(12)28-11)14-5-4-6-16(18(14)23)30-33(31,32)17-8-13(22)10-26-20(17)24-2/h4-10,30H,1-3H3,(H,24,26)(H,25,27,28,29)
InChIKeyIIIOQUVCTDJMAR-UHFFFAOYSA-N
XLogP4.07
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.95
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide (CID 163369490) is 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4NC)c3F)c(C)nc2n1.
What is the InChIKey of 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is IIIOQUVCTDJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN7O2S/c1-11-15(7-12-9-27-21(25-3)29-19(12)28-11)14-5-4-6-16(18(14)23)30-33(31,32)17-8-13(22)10-26-20(17)24-2/h4-10,30H,1-3H3,(H,24,26)(H,25,27,28,29).
What are the key properties of 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 487.95 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 163369490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).