3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

C99H83F9N24O9S3 — CID 167567916

IUPAC3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cn[nH]c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1cc(F)cc(F)c1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cncc(F)c4)cc23)cn1
InChIInChI=1S/C21H18F2N4O.C20H17F2N5O3S.C20H17F2N5O2S.C20H18FN5O.C18H13F2N5O2S/c22-17-8-16(9-18(23)11-17)7-14-1-3-20-19(10-14)21(26-25-20)4-2-15-12-24-27(13-15)5-6-28;21-14-7-15(22)9-17(8-14)31(29,30)26-16-2-4-20-18(10-16)19(24-25-20)3-1-13-11-23-27(12-13)5-6-28;1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17;21-17-8-16(10-22-12-17)7-14-1-3-19-18(9-14)20(25-24-19)4-2-15-11-23-26(13-15)5-6-27;19-12-5-13(20)7-15(6-12)28(26,27)25-14-2-4-18-16(8-14)17(23-24-18)3-1-11-9-21-22-10-11/h1-4,8-13,28H,5-7H2,(H,25,26);1-4,7-12,26,28H,5-6H2,(H,24,25);3-12,26H,2H2,1H3,(H,24,25);1-4,8-13,27H,5-7H2,(H,24,25);1-10,25H,(H,21,22)(H,23,24)/b4-2+;3-1+;5-3+;4-2+;3-1+
InChIKeyFNFYODIULQQSRG-KZPSYDTKSA-N
MW2020.09 g/mol
LogP17.40
Rot. Bonds30

About 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (PubChem CID 167567916) has the molecular formula C99H83F9N24O9S3 and a molecular weight of 2020.09 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
PubChem CID167567916
Molecular FormulaC99H83F9N24O9S3
Molecular Weight2020.09 g/mol
Exact Mass2018.58
IUPAC Name3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESCCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cn[nH]c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1cc(F)cc(F)c1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cncc(F)c4)cc23)cn1
InChIInChI=1S/C21H18F2N4O.C20H17F2N5O3S.C20H17F2N5O2S.C20H18FN5O.C18H13F2N5O2S/c22-17-8-16(9-18(23)11-17)7-14-1-3-20-19(10-14)21(26-25-20)4-2-15-12-24-27(13-15)5-6-28;21-14-7-15(22)9-17(8-14)31(29,30)26-16-2-4-20-18(10-16)19(24-25-20)3-1-13-11-23-27(12-13)5-6-28;1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17;21-17-8-16(10-22-12-17)7-14-1-3-19-18(9-14)20(25-24-19)4-2-15-11-23-26(13-15)5-6-27;19-12-5-13(20)7-15(6-12)28(26,27)25-14-2-4-18-16(8-14)17(23-24-18)3-1-11-9-21-22-10-11/h1-4,8-13,28H,5-7H2,(H,25,26);1-4,7-12,26,28H,5-6H2,(H,24,25);3-12,26H,2H2,1H3,(H,24,25);1-4,8-13,27H,5-7H2,(H,24,25);1-10,25H,(H,21,22)(H,23,24)/b4-2+;3-1+;5-3+;4-2+;3-1+
InChIKeyFNFYODIULQQSRG-KZPSYDTKSA-N
XLogP17.40
TPSA455.45 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.09
LogP ≤ 517.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (CID 167567916) is 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is CCn1cc(/C=C/c2n[nH]c3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc23)cn1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cn[nH]c3)c2c1)c1cc(F)cc(F)c1.O=S(=O)(Nc1ccc2[nH]nc(/C=C/c3cnn(CCO)c3)c2c1)c1cc(F)cc(F)c1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)cn1.OCCn1cc(/C=C/c2n[nH]c3ccc(Cc4cncc(F)c4)cc23)cn1.
What is the InChIKey of 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The InChIKey is FNFYODIULQQSRG-KZPSYDTKSA-N. The full InChI is InChI=1S/C21H18F2N4O.C20H17F2N5O3S.C20H17F2N5O2S.C20H18FN5O.C18H13F2N5O2S/c22-17-8-16(9-18(23)11-17)7-14-1-3-20-19(10-14)21(26-25-20)4-2-15-12-24-27(13-15)5-6-28;21-14-7-15(22)9-17(8-14)31(29,30)26-16-2-4-20-18(10-16)19(24-25-20)3-1-13-11-23-27(12-13)5-6-28;1-2-27-12-13(11-23-27)3-5-19-18-10-16(4-6-20(18)25-24-19)26-30(28,29)17-8-14(21)7-15(22)9-17;21-17-8-16(10-22-12-17)7-14-1-3-19-18(9-14)20(25-24-19)4-2-15-11-23-26(13-15)5-6-27;19-12-5-13(20)7-15(6-12)28(26,27)25-14-2-4-18-16(8-14)17(23-24-18)3-1-11-9-21-22-10-11/h1-4,8-13,28H,5-7H2,(H,25,26);1-4,7-12,26,28H,5-6H2,(H,24,25);3-12,26H,2H2,1H3,(H,24,25);1-4,8-13,27H,5-7H2,(H,24,25);1-10,25H,(H,21,22)(H,23,24)/b4-2+;3-1+;5-3+;4-2+;3-1+.
What are the key properties of 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol has a molecular weight of 2020.09 g/mol, XLogP of 17.40, 30 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-[(E)-2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethenyl]-1H-indazol-5-yl]benzenesulfonamide;2-[4-[(E)-2-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol;3,5-difluoro-N-[3-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1H-indazol-5-yl]benzenesulfonamide;N-[3-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]-3,5-difluorobenzenesulfonamide;2-[4-[(E)-2-[5-[(5-fluoro-3-pyridinyl)methyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 167567916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).