5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one

C80H74F3N13O8S — CID 158058420

IUPAC5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)Cn1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(OC4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1.O=c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c[nH]1
InChIInChI=1S/C30H29FN4O3.C25H24FN5O3S.C25H21FN4O2/c31-22-2-4-23(5-3-22)35-27-15-21-18-33-34-26(21)16-25(27)29(30(35)19-7-11-36-12-8-19)20-1-6-28(32-17-20)38-24-9-13-37-14-10-24;1-35(32,33)15-30-14-18(13-28-30)24-21-11-22-17(12-27-29-22)10-23(21)31(20-4-2-19(26)3-5-20)25(24)16-6-8-34-9-7-16;26-18-2-4-19(5-3-18)30-22-11-17-14-28-29-21(17)12-20(22)24(16-1-6-23(31)27-13-16)25(30)15-7-9-32-10-8-15/h1-6,15-19,24H,7-14H2,(H,33,34);2-5,10-14,16H,6-9,15H2,1H3,(H,27,29);1-6,11-15H,7-10H2,(H,27,31)(H,28,29)
InChIKeyFKIUGBSWNHOPSD-UHFFFAOYSA-N
MW1434.62 g/mol
LogP15.46
Rot. Bonds13

About 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one

5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one (PubChem CID 158058420) has the molecular formula C80H74F3N13O8S and a molecular weight of 1434.62 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one
PubChem CID158058420
Molecular FormulaC80H74F3N13O8S
Molecular Weight1434.62 g/mol
Exact Mass1433.55
IUPAC Name5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)Cn1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(OC4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1.O=c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c[nH]1
InChIInChI=1S/C30H29FN4O3.C25H24FN5O3S.C25H21FN4O2/c31-22-2-4-23(5-3-22)35-27-15-21-18-33-34-26(21)16-25(27)29(30(35)19-7-11-36-12-8-19)20-1-6-28(32-17-20)38-24-9-13-37-14-10-24;1-35(32,33)15-30-14-18(13-28-30)24-21-11-22-17(12-27-29-22)10-23(21)31(20-4-2-19(26)3-5-20)25(24)16-6-8-34-9-7-16;26-18-2-4-19(5-3-18)30-22-11-17-14-28-29-21(17)12-20(22)24(16-1-6-23(31)27-13-16)25(30)15-7-9-32-10-8-15/h1-6,15-19,24H,7-14H2,(H,33,34);2-5,10-14,16H,6-9,15H2,1H3,(H,27,29);1-6,11-15H,7-10H2,(H,27,31)(H,28,29)
InChIKeyFKIUGBSWNHOPSD-UHFFFAOYSA-N
XLogP15.46
TPSA244.69 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.62
LogP ≤ 515.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1-methylpyridin-2-one;N-[5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-2-pyridinyl]acetamide;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole
CID 157732649
(E)-N-(2-methoxyethyl)-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-N-(trideuteriomethyl)-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-N-(trideuteriomethyl)-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-N-(trideuteriomethyl)-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-1-piperidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one
CID 159655214
N,N-dimethyl-7-[4-[4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N,N-dimethyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylheptanamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-1H-isoindol-5-yl)-1-phenylbut-1-en-2-yl]-2-pyridinyl]oxy]hept-2-enamide;(E)-10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dec-4-en-3-one
CID 159805966
(E)-1-piperidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-piperidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one
CID 160836448
(E)-4-bromo-N,N-dimethylbut-2-enamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;3-fluoro-1-(oxan-2-yl)-5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]but-1-enyl]indazole
CID 167571590
(E)-4-bromo-N,N-dimethylbut-2-enamide;(E)-N,N-dimethyl-4-[(3S)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3S)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;3-fluoro-1-(oxan-2-yl)-5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[6-[(3S)-pyrrolidin-3-yl]oxy-3-pyridinyl]but-1-enyl]indazole
CID 167571591
(E)-N-cyclohexyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-1-piperidin-1-yl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-en-1-one;(E)-1-pyrrolidin-1-yl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-en-1-one
CID 167583711
(E)-4-[(3R)-3-[[5-[(Z)-2-(4-acetamidophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;(E)-N-tert-butyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-cyclopentyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-1-piperidin-1-yl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-en-1-one
CID 167654683
(E)-N,N-dimethyl-4-[(3S)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;(E)-N,N-dimethyl-4-[(3S)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pyrrolidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
CID 167697969
benzyl 3-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone
CID 157302843
benzyl 4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidine-1-carboxylate;5-(4-fluorophenyl)-7-(2-methylsulfonylethyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;1-[4-[[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]piperidin-1-yl]ethanone;2-[3-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propyl]-1,2-thiazolidine 1,1-dioxide
CID 157361247
(E)-7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-piperidin-1-ylhept-2-en-1-one;(E)-7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-pyrrolidin-1-ylhept-2-en-1-one;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-1-piperidin-1-ylhept-2-en-1-one;(E)-7-[[5-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-1-pyrrolidin-1-ylhept-2-en-1-one;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-pyrrolidin-1-ylhept-2-en-1-one;(E)-7-[[5-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]-1-pyrrolidin-1-ylhept-2-en-1-one
CID 157955941

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one (CID 158058420) is 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one is CS(=O)(=O)Cn1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cn1.Fc1ccc(-n2c(C3CCOCC3)c(-c3ccc(OC4CCOCC4)nc3)c3cc4[nH]ncc4cc32)cc1.O=c1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one?
The InChIKey is FKIUGBSWNHOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O3.C25H24FN5O3S.C25H21FN4O2/c31-22-2-4-23(5-3-22)35-27-15-21-18-33-34-26(21)16-25(27)29(30(35)19-7-11-36-12-8-19)20-1-6-28(32-17-20)38-24-9-13-37-14-10-24;1-35(32,33)15-30-14-18(13-28-30)24-21-11-22-17(12-27-29-22)10-23(21)31(20-4-2-19(26)3-5-20)25(24)16-6-8-34-9-7-16;26-18-2-4-19(5-3-18)30-22-11-17-14-28-29-21(17)12-20(22)24(16-1-6-23(31)27-13-16)25(30)15-7-9-32-10-8-15/h1-6,15-19,24H,7-14H2,(H,33,34);2-5,10-14,16H,6-9,15H2,1H3,(H,27,29);1-6,11-15H,7-10H2,(H,27,31)(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one?
5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one has a molecular weight of 1434.62 g/mol, XLogP of 15.46, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-[1-(methylsulfonylmethyl)pyrazol-4-yl]-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole;5-(4-fluorophenyl)-6-(oxan-4-yl)-7-[6-(oxan-4-yloxy)-3-pyridinyl]-1H-pyrrolo[2,3-f]indazole;5-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).