5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C22H18ClF2N5O3S — CID 163369488

IUPAC5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1cc2nc(C)c(-c3cc(NS(=O)(=O)c4cc(Cl)cnc4OC)cc(F)c3F)cc2cn1
InChIInChI=1S/C22H18ClF2N5O3S/c1-11-15(4-12-9-27-20(26-2)8-18(12)29-11)16-6-14(7-17(24)21(16)25)30-34(31,32)19-5-13(23)10-28-22(19)33-3/h4-10,30H,1-3H3,(H,26,27)
InChIKeyFHUGBKRBTBRHJU-UHFFFAOYSA-N
MW505.93 g/mol
LogP4.78
Rot. Bonds6

About 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 163369488) has the molecular formula C22H18ClF2N5O3S and a molecular weight of 505.93 g/mol. Its IUPAC name is 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID163369488
Molecular FormulaC22H18ClF2N5O3S
Molecular Weight505.93 g/mol
Exact Mass505.08
IUPAC Name5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCNc1cc2nc(C)c(-c3cc(NS(=O)(=O)c4cc(Cl)cnc4OC)cc(F)c3F)cc2cn1
InChIInChI=1S/C22H18ClF2N5O3S/c1-11-15(4-12-9-27-20(26-2)8-18(12)29-11)16-6-14(7-17(24)21(16)25)30-34(31,32)19-5-13(23)10-28-22(19)33-3/h4-10,30H,1-3H3,(H,26,27)
InChIKeyFHUGBKRBTBRHJU-UHFFFAOYSA-N
XLogP4.78
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.93
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[2-fluoro-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 163369135
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
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-(8-acetyl-2-methoxyimidazo[1,5-a]pyrimidin-3-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593971
N-[3-(3-amino-1H-indazol-6-yl)-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 156833302
5-chloro-N-[3,5-difluoro-4-[5-fluoro-2-(2-hydroxyethylamino)quinazolin-6-yl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 170349522
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-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-methoxy-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594101
3-[[6-[2-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-3,5-difluoro-4-pyridinyl]quinazolin-2-yl]amino]-N-methylcyclopentane-1-carboxamide
CID 175957720

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 163369488) is 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide is CNc1cc2nc(C)c(-c3cc(NS(=O)(=O)c4cc(Cl)cnc4OC)cc(F)c3F)cc2cn1.
What is the InChIKey of 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is FHUGBKRBTBRHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N5O3S/c1-11-15(4-12-9-27-20(26-2)8-18(12)29-11)16-6-14(7-17(24)21(16)25)30-34(31,32)19-5-13(23)10-28-22(19)33-3/h4-10,30H,1-3H3,(H,26,27).
What are the key properties of 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 505.93 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3,4-difluoro-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 163369488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).