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

C89H90F4N20O8S4 — CID 159613948

IUPAC1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESC[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1ccc(S(=O)(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C23H25N5O2S.C22H21F2N5O2S.2C22H22FN5O2S/c1-16-3-6-22(7-4-16)31(29,30)28-15-18(9-17(28)2)14-27-23-8-5-19(10-20(23)13-26-27)21-11-24-25-12-21;1-14-7-15(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;1-15-7-16(14-28(15)31(29,30)21-4-2-3-20(23)9-21)13-27-22-6-5-17(8-18(22)12-26-27)19-10-24-25-11-19;1-15-8-16(14-28(15)31(29,30)22-5-3-2-4-20(22)23)13-27-21-7-6-17(9-18(21)12-26-27)19-10-24-25-11-19/h3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,24,25);2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,24,25);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25)/t17-,18?;14-,15?;2*15-,16?/m0000/s1
InChIKeyMNAXRRZZBHLBSN-OIAPFZGCSA-N
MW1772.09 g/mol
LogP14.97
Rot. Bonds20

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

1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (PubChem CID 159613948) has the molecular formula C89H90F4N20O8S4 and a molecular weight of 1772.09 g/mol. Its IUPAC name is 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.

Molecular Properties

Compound Name1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
PubChem CID159613948
Molecular FormulaC89H90F4N20O8S4
Molecular Weight1772.09 g/mol
Exact Mass1770.61
IUPAC Name1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
SMILESC[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1ccc(S(=O)(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1
InChIInChI=1S/C23H25N5O2S.C22H21F2N5O2S.2C22H22FN5O2S/c1-16-3-6-22(7-4-16)31(29,30)28-15-18(9-17(28)2)14-27-23-8-5-19(10-20(23)13-26-27)21-11-24-25-12-21;1-14-7-15(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;1-15-7-16(14-28(15)31(29,30)21-4-2-3-20(23)9-21)13-27-22-6-5-17(8-18(22)12-26-27)19-10-24-25-11-19;1-15-8-16(14-28(15)31(29,30)22-5-3-2-4-20(22)23)13-27-21-7-6-17(9-18(21)12-26-27)19-10-24-25-11-19/h3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,24,25);2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,24,25);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25)/t17-,18?;14-,15?;2*15-,16?/m0000/s1
InChIKeyMNAXRRZZBHLBSN-OIAPFZGCSA-N
XLogP14.97
TPSA335.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.09
LogP ≤ 514.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-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-(difluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118674441
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The IUPAC name of 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole (CID 159613948) is 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole.
What is the SMILES notation for 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The canonical SMILES for 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.C[C@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccccc1F.Cc1ccc(S(=O)(=O)N2CC(Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@@H]2C)cc1.
What is the InChIKey of 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
The InChIKey is MNAXRRZZBHLBSN-OIAPFZGCSA-N. The full InChI is InChI=1S/C23H25N5O2S.C22H21F2N5O2S.2C22H22FN5O2S/c1-16-3-6-22(7-4-16)31(29,30)28-15-18(9-17(28)2)14-27-23-8-5-19(10-20(23)13-26-27)21-11-24-25-12-21;1-14-7-15(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;1-15-7-16(14-28(15)31(29,30)21-4-2-3-20(23)9-21)13-27-22-6-5-17(8-18(22)12-26-27)19-10-24-25-11-19;1-15-8-16(14-28(15)31(29,30)22-5-3-2-4-20(22)23)13-27-21-7-6-17(9-18(21)12-26-27)19-10-24-25-11-19/h3-8,10-13,17-18H,9,14-15H2,1-2H3,(H,24,25);2-6,8-11,14-15H,7,12-13H2,1H3,(H,25,26);2-6,8-12,15-16H,7,13-14H2,1H3,(H,24,25);2-7,9-12,15-16H,8,13-14H2,1H3,(H,24,25)/t17-,18?;14-,15?;2*15-,16?/m0000/s1.
What are the key properties of 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole?
1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole has a molecular weight of 1772.09 g/mol, XLogP of 14.97, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-1-(2,3-difluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[(5S)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole is sourced from PubChem (CID 159613948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).