N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

C20H16F3N5O4S — CID 171465818

IUPACN-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnc3cnn(C)c3c2)c1F
InChIInChI=1S/C20H16F3N5O4S/c1-28-17-6-12(8-24-16(17)9-26-28)32-10-13-14(22)3-4-15(19(13)23)27-33(29,30)18-5-11(21)7-25-20(18)31-2/h3-9,27H,10H2,1-2H3
InChIKeyVBFRNLZCVLIFAM-UHFFFAOYSA-N
MW479.44 g/mol
LogP3.17
Rot. Bonds7

About N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (PubChem CID 171465818) has the molecular formula C20H16F3N5O4S and a molecular weight of 479.44 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
PubChem CID171465818
Molecular FormulaC20H16F3N5O4S
Molecular Weight479.44 g/mol
Exact Mass479.09
IUPAC NameN-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnc3cnn(C)c3c2)c1F
InChIInChI=1S/C20H16F3N5O4S/c1-28-17-6-12(8-24-16(17)9-26-28)32-10-13-14(22)3-4-15(19(13)23)27-33(29,30)18-5-11(21)7-25-20(18)31-2/h3-9,27H,10H2,1-2H3
InChIKeyVBFRNLZCVLIFAM-UHFFFAOYSA-N
XLogP3.17
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 171465893
2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]aniline
CID 171465835
5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593358
N-[2,4-difluoro-3-[(4-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164593242
N-[3-[[3-(1,1-difluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]oxymethyl]-2,4-difluorophenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465839
4-fluoro-N-[(5-fluoro-2-methoxy-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-2-methyl-3-[(5-methylimidazo[1,5-b]pyridazin-3-yl)oxymethyl]aniline
CID 164593301
N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465695
5-chloro-N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593347
N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593334
N-[2,4-difluoro-3-[5-fluoro-1-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164594495
N-[4-chloro-2-fluoro-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]phenyl]-5-fluoro-2-methylpyridine-3-sulfonamide
CID 164593426
5-chloro-N-[3-[[4-cyano-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]oxymethyl]-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 171465916

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (CID 171465818) is N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(COc2cnc3cnn(C)c3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The InChIKey is VBFRNLZCVLIFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O4S/c1-28-17-6-12(8-24-16(17)9-26-28)32-10-13-14(22)3-4-15(19(13)23)27-33(29,30)18-5-11(21)7-25-20(18)31-2/h3-9,27H,10H2,1-2H3.
What are the key properties of N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide has a molecular weight of 479.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 171465818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).