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

C21H18ClFN6O3S — CID 163369135

IUPAC5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)c(C)nc2n1
InChIInChI=1S/C21H18ClFN6O3S/c1-11-15(7-12-9-26-21(24-2)28-19(12)27-11)14-5-4-6-16(18(14)23)29-33(30,31)17-8-13(22)10-25-20(17)32-3/h4-10,29H,1-3H3,(H,24,26,27,28)
InChIKeyYDTBFUITLOWBME-UHFFFAOYSA-N
MW488.93 g/mol
LogP4.04
Rot. Bonds6

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

5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 163369135) has the molecular formula C21H18ClFN6O3S and a molecular weight of 488.93 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-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID163369135
Molecular FormulaC21H18ClFN6O3S
Molecular Weight488.93 g/mol
Exact Mass488.08
IUPAC Name5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)c(C)nc2n1
InChIInChI=1S/C21H18ClFN6O3S/c1-11-15(7-12-9-26-21(24-2)28-19(12)27-11)14-5-4-6-16(18(14)23)29-33(30,31)17-8-13(22)10-25-20(17)32-3/h4-10,29H,1-3H3,(H,24,26,27,28)
InChIKeyYDTBFUITLOWBME-UHFFFAOYSA-N
XLogP4.04
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164934668
5-chloro-N-[3-[2-(cyclobutylamino)-7-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 164934675
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide
CID 164934642
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-2-chloro-5-methoxybenzenesulfonamide
CID 163369516
5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369488
2,5-dichloro-N-[2-fluoro-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(hydroxymethyl)benzenesulfonamide
CID 164934770
5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 155206667
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-4-fluorophenyl]-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 163369489
5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide
CID 166048215
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302

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-methoxypyridine-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-methoxypyridine-3-sulfonamide (CID 163369135) is 5-chloro-N-[2-fluoro-3-[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-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-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-methoxypyridine-3-sulfonamide is CNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(Cl)cnc4OC)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-methoxypyridine-3-sulfonamide?
The InChIKey is YDTBFUITLOWBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O3S/c1-11-15(7-12-9-26-21(24-2)28-19(12)27-11)14-5-4-6-16(18(14)23)29-33(30,31)17-8-13(22)10-25-20(17)32-3/h4-10,29H,1-3H3,(H,24,26,27,28).
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-methoxypyridine-3-sulfonamide?
5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 488.93 g/mol, XLogP of 4.04, 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-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 163369135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).