N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

C19H15F3N6O4S — CID 171465695

IUPACN-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ncc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F
InChIInChI=1S/C19H15F3N6O4S/c1-9-12-4-11(6-23-17(12)27-26-9)32-8-13-14(21)7-24-18(16(13)22)28-33(29,30)15-3-10(20)5-25-19(15)31-2/h3-7H,8H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyBRKHJTAEVWQNSN-UHFFFAOYSA-N
MW480.43 g/mol
LogP2.86
Rot. Bonds7

About N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (PubChem CID 171465695) has the molecular formula C19H15F3N6O4S and a molecular weight of 480.43 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
PubChem CID171465695
Molecular FormulaC19H15F3N6O4S
Molecular Weight480.43 g/mol
Exact Mass480.08
IUPAC NameN-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ncc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F
InChIInChI=1S/C19H15F3N6O4S/c1-9-12-4-11(6-23-17(12)27-26-9)32-8-13-14(21)7-24-18(16(13)22)28-33(29,30)15-3-10(20)5-25-19(15)31-2/h3-7H,8H2,1-2H3,(H,24,28)(H,23,26,27)
InChIKeyBRKHJTAEVWQNSN-UHFFFAOYSA-N
XLogP2.86
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide with MolForge

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Related Compounds

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
2,4-difluoro-N-methyl-3-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]aniline;5-fluoro-2,3-dimethylpyridine;formaldehyde
CID 164593621
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-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 171465818
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
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251058
5-chloro-N-[2,4-difluoro-3-[(1-methylpyrazolo[4,5-b]pyridin-6-yl)oxymethyl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 171465893
5-chloro-N-[3-fluoro-4-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 166889391
5-chloro-N-[2,4-difluoro-3-(imidazo[1,5-b]pyridazin-3-yloxymethyl)phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593358
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide
CID 167251230
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251218
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 N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 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) is N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is COc1ncc(F)cc1S(=O)(=O)Nc1ncc(F)c(COc2cnc3n[nH]c(C)c3c2)c1F.
What is the InChIKey of N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The InChIKey is BRKHJTAEVWQNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O4S/c1-9-12-4-11(6-23-17(12)27-26-9)32-8-13-14(21)7-24-18(16(13)22)28-33(29,30)15-3-10(20)5-25-19(15)31-2/h3-7H,8H2,1-2H3,(H,24,28)(H,23,26,27).
What are the key properties of N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide has a molecular weight of 480.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)oxymethyl]-2-pyridinyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 171465695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).