4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile

C23H15F2N7O3S — CID 167648734

IUPAC4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32)
InChIKeyQGLYQMOAPGVJSK-UHFFFAOYSA-N
MW507.48 g/mol
LogP3.54
Rot. Bonds6

About 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile

4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile (PubChem CID 167648734) has the molecular formula C23H15F2N7O3S and a molecular weight of 507.48 g/mol. Its IUPAC name is 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
PubChem CID167648734
Molecular FormulaC23H15F2N7O3S
Molecular Weight507.48 g/mol
Exact Mass507.09
IUPAC Name4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N
InChIInChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32)
InChIKeyQGLYQMOAPGVJSK-UHFFFAOYSA-N
XLogP3.54
TPSA150.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 166048230
N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164593684
5-cyano-N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593700
N-(3-(1-(4,5-dimethyl-1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl)-2,4-difluorophenyl)-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164593704
5-cyano-N-[2,4-difluoro-3-[(6S)-1-(1H-imidazol-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593708
5-cyano-N-[2,4-difluoro-3-[1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593755
N-[3-[1-(1H-1,3-benzodiazol-2-yl)imidazo[1,5-a]pyridin-6-yl]-2,4-difluorophenyl]-5-cyano-2-methoxypyridine-3-sulfonamide
CID 164593877
5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-4H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyrazin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593879
5-cyano-N-[2,4-difluoro-3-[1-(5-methyl-4H-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593904
5-cyano-N-[2,4-difluoro-3-[5-(1H-imidazol-2-yl)imidazo[1,5-b]pyridazin-2-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164593923
N-[2,4-difluoro-3-[5-fluoro-1-(1H-imidazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
CID 164594036
5-cyano-N-[2,4-difluoro-3-[1-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)imidazo[1,5-a]pyridin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 164594057

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile (CID 167648734) is 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile is COc1ncc(F)cc1S(=O)(=O)Cc1nccc(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1C#N.
What is the InChIKey of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
The InChIKey is QGLYQMOAPGVJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N7O3S/c1-35-23-18(8-12(24)10-30-23)36(33,34)11-17-16(9-26)13(4-5-27-17)14-2-3-15-20(19(14)25)31-32-21(15)22-28-6-7-29-22/h2-8,10H,11H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile?
4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile has a molecular weight of 507.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167648734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).