N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide

C22H19FN8O3S — CID 164934642

IUPACN-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(C#N)cnc4OC)c3F)c(NC)nc2n1
InChIInChI=1S/C22H19FN8O3S/c1-25-20-15(8-13-11-28-22(26-2)30-19(13)29-20)14-5-4-6-16(18(14)23)31-35(32,33)17-7-12(9-24)10-27-21(17)34-3/h4-8,10-11,31H,1-3H3,(H2,25,26,28,29,30)
InChIKeyDFZVLJGUBJNURM-UHFFFAOYSA-N
MW494.51 g/mol
LogP2.99
Rot. Bonds7

About N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide

N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide (PubChem CID 164934642) has the molecular formula C22H19FN8O3S and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide
PubChem CID164934642
Molecular FormulaC22H19FN8O3S
Molecular Weight494.51 g/mol
Exact Mass494.13
IUPAC NameN-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide
SMILESCNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(C#N)cnc4OC)c3F)c(NC)nc2n1
InChIInChI=1S/C22H19FN8O3S/c1-25-20-15(8-13-11-28-22(26-2)30-19(13)29-20)14-5-4-6-16(18(14)23)31-35(32,33)17-7-12(9-24)10-27-21(17)34-3/h4-8,10-11,31H,1-3H3,(H2,25,26,28,29,30)
InChIKeyDFZVLJGUBJNURM-UHFFFAOYSA-N
XLogP2.99
TPSA154.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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]-2-chloro-5-methoxybenzenesulfonamide
CID 163369516
5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369135
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164934668
6-[3-(2,5-dimethoxyphenyl)-2-fluorophenyl]-2-N,7-N-dimethylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 163369293
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
2,5-dichloro-N-[2-fluoro-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(hydroxymethyl)benzenesulfonamide
CID 164934770
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594652
6-[3-[(5-cyano-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
CID 164593981
5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 155206667
N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-2-chlorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 138675810
5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369488

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide (CID 164934642) is N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide is CNc1ncc2cc(-c3cccc(NS(=O)(=O)c4cc(C#N)cnc4OC)c3F)c(NC)nc2n1.
What is the InChIKey of N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide?
The InChIKey is DFZVLJGUBJNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O3S/c1-25-20-15(8-13-11-28-22(26-2)30-19(13)29-20)14-5-4-6-16(18(14)23)31-35(32,33)17-7-12(9-24)10-27-21(17)34-3/h4-8,10-11,31H,1-3H3,(H2,25,26,28,29,30).
What are the key properties of N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide?
N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide has a molecular weight of 494.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,7-bis(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-2-fluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164934642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).