1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

C88H87F5N20O8S4 — CID 158901723

IUPAC1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESC[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C22H21F2N5O2S.3C22H22FN5O2S/c1-14-7-15(13-29(14)32(30,31)21-4-2-3-19(23)22(21)24)12-28-20-6-5-16(8-17(20)11-27-28)18-9-25-26-10-18;1-15-8-16(14-28(15)31(29,30)21-5-3-20(23)4-6-21)13-27-22-7-2-17(9-18(22)12-26-27)19-10-24-25-11-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;23-20-3-1-2-4-22(20)31(29,30)27-9-7-16(8-10-27)15-28-21-6-5-17(11-18(21)14-26-28)19-12-24-25-13-19/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-6,11-14,16H,7-10,15H2,(H,24,25)/t14-,15+;15-,16+;;/m00../s1
InChIKeyJFNNTUHHJRVLAU-CFWJLBCESA-N
MW1776.05 g/mol
LogP14.80
Rot. Bonds20

About 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole

1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (PubChem CID 158901723) has the molecular formula C88H87F5N20O8S4 and a molecular weight of 1776.05 g/mol. Its IUPAC name is 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
PubChem CID158901723
Molecular FormulaC88H87F5N20O8S4
Molecular Weight1776.05 g/mol
Exact Mass1774.58
IUPAC Name1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESC[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C22H21F2N5O2S.3C22H22FN5O2S/c1-14-7-15(13-29(14)32(30,31)21-4-2-3-19(23)22(21)24)12-28-20-6-5-16(8-17(20)11-27-28)18-9-25-26-10-18;1-15-8-16(14-28(15)31(29,30)21-5-3-20(23)4-6-21)13-27-22-7-2-17(9-18(22)12-26-27)19-10-24-25-11-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;23-20-3-1-2-4-22(20)31(29,30)27-9-7-16(8-10-27)15-28-21-6-5-17(11-18(21)14-26-28)19-12-24-25-13-19/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-6,11-14,16H,7-10,15H2,(H,24,25)/t14-,15+;15-,16+;;/m00../s1
InChIKeyJFNNTUHHJRVLAU-CFWJLBCESA-N
XLogP14.80
TPSA335.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.05
LogP ≤ 514.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole with MolForge

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Related Compounds

1-[[(3S,5R)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674440
1-[[1-(4-fluoro-3-methylphenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674447
1-[[1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674467
1-[[1-(2-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674484
1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674493
1-[[(3S,5R)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674502
1-[[1-(3-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674510
1-[[(3S,5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674514
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674519
1-[[(3S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674521
1-[[(3S,5R)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674522
1-[[(3S,5S)-1-[3-(difluoromethyl)phenyl]sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674525

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The IUPAC name of 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (CID 158901723) is 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.
What is the SMILES notation for 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The canonical SMILES for 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is C[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1.C[C@H]1C[C@H](Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.O=S(=O)(c1cccc(F)c1)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.O=S(=O)(c1ccccc1F)N1CCC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The InChIKey is JFNNTUHHJRVLAU-CFWJLBCESA-N. The full InChI is InChI=1S/C22H21F2N5O2S.3C22H22FN5O2S/c1-14-7-15(13-29(14)32(30,31)21-4-2-3-19(23)22(21)24)12-28-20-6-5-16(8-17(20)11-27-28)18-9-25-26-10-18;1-15-8-16(14-28(15)31(29,30)21-5-3-20(23)4-6-21)13-27-22-7-2-17(9-18(22)12-26-27)19-10-24-25-11-19;23-20-2-1-3-21(11-20)31(29,30)27-8-6-16(7-9-27)15-28-22-5-4-17(10-18(22)14-26-28)19-12-24-25-13-19;23-20-3-1-2-4-22(20)31(29,30)27-9-7-16(8-10-27)15-28-21-6-5-17(11-18(21)14-26-28)19-12-24-25-13-19/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25);1-5,10-14,16H,6-9,15H2,(H,24,25);1-6,11-14,16H,7-10,15H2,(H,24,25)/t14-,15+;15-,16+;;/m00../s1.
What are the key properties of 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole has a molecular weight of 1776.05 g/mol, XLogP of 14.80, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(3R,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is sourced from PubChem (CID 158901723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).