3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide

C92H88F4N12O12 — CID 157162028

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCC(C)(C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/2C25H22FN3O3.C22H24FN3O3.C20H20FN3O3/c2*1-32-24-19(25(31)27-15-22(30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-22(2,28)12-13-24-21(27)16-9-11-18-19(20(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-12(25)11-22-20(26)15-8-10-17-18(19(15)27-2)16(23-24-17)9-5-13-3-6-14(21)7-4-13/h2*2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);4-11,28H,12-13H2,1-3H3,(H,24,27)(H,25,26);3-10,12,25H,11H2,1-2H3,(H,22,26)(H,23,24)/b2*13-9+;10-6+;9-5+/t2*22-;;12-/m10.0/s1
InChIKeyAMMKCZKSNUFFRE-LDCXQWFUSA-N
MW1629.78 g/mol
LogP15.45
Rot. Bonds27

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 157162028) has the molecular formula C92H88F4N12O12 and a molecular weight of 1629.78 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
PubChem CID157162028
Molecular FormulaC92H88F4N12O12
Molecular Weight1629.78 g/mol
Exact Mass1628.66
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCC(C)(C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/2C25H22FN3O3.C22H24FN3O3.C20H20FN3O3/c2*1-32-24-19(25(31)27-15-22(30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-22(2,28)12-13-24-21(27)16-9-11-18-19(20(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-12(25)11-22-20(26)15-8-10-17-18(19(15)27-2)16(23-24-17)9-5-13-3-6-14(21)7-4-13/h2*2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);4-11,28H,12-13H2,1-3H3,(H,24,27)(H,25,26);3-10,12,25H,11H2,1-2H3,(H,22,26)(H,23,24)/b2*13-9+;10-6+;9-5+/t2*22-;;12-/m10.0/s1
InChIKeyAMMKCZKSNUFFRE-LDCXQWFUSA-N
XLogP15.45
TPSA348.96 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001629.78
LogP ≤ 515.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
3-[2-(4-fluorophenyl)ethyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 57584825
3-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 57584833
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
CID 58582175
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 58582199
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59796948
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797018
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797050
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797103
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797144
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797226
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide (CID 157162028) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NCCC(C)(C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](C)O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC[C@H](O)c2ccccc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is AMMKCZKSNUFFRE-LDCXQWFUSA-N. The full InChI is InChI=1S/2C25H22FN3O3.C22H24FN3O3.C20H20FN3O3/c2*1-32-24-19(25(31)27-15-22(30)17-5-3-2-4-6-17)12-14-21-23(24)20(28-29-21)13-9-16-7-10-18(26)11-8-16;1-22(2,28)12-13-24-21(27)16-9-11-18-19(20(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14;1-12(25)11-22-20(26)15-8-10-17-18(19(15)27-2)16(23-24-17)9-5-13-3-6-14(21)7-4-13/h2*2-14,22,30H,15H2,1H3,(H,27,31)(H,28,29);4-11,28H,12-13H2,1-3H3,(H,24,27)(H,25,26);3-10,12,25H,11H2,1-2H3,(H,22,26)(H,23,24)/b2*13-9+;10-6+;9-5+/t2*22-;;12-/m10.0/s1.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 1629.78 g/mol, XLogP of 15.45, 27 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 157162028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).