3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

C102H83F13N12O11 — CID 161440877

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccc(C(F)(F)F)c2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccc2C(F)(F)F)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C27H26FN3O5.3C25H19F4N3O2/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16;1-34-23-19(24(33)30-14-16-2-7-17(8-3-16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-6-15-4-9-18(26)10-5-15;1-34-23-19(24(33)30-14-16-3-2-4-17(13-16)25(27,28)29)10-12-21-22(23)20(31-32-21)11-7-15-5-8-18(26)9-6-15;1-34-23-18(24(33)30-14-16-4-2-3-5-19(16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-8-15-6-9-17(26)10-7-15/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31);3*2-13H,14H2,1H3,(H,30,33)(H,31,32)/b11-7+;12-6+;11-7+;12-8+
InChIKeyVZGHHMRUIBPNMT-FILLNCBMSA-N
MW1899.83 g/mol
LogP22.33
Rot. Bonds27

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (PubChem CID 161440877) has the molecular formula C102H83F13N12O11 and a molecular weight of 1899.83 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
PubChem CID161440877
Molecular FormulaC102H83F13N12O11
Molecular Weight1899.83 g/mol
Exact Mass1898.61
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccc(C(F)(F)F)c2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccc2C(F)(F)F)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/C27H26FN3O5.3C25H19F4N3O2/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16;1-34-23-19(24(33)30-14-16-2-7-17(8-3-16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-6-15-4-9-18(26)10-5-15;1-34-23-19(24(33)30-14-16-3-2-4-17(13-16)25(27,28)29)10-12-21-22(23)20(31-32-21)11-7-15-5-8-18(26)9-6-15;1-34-23-18(24(33)30-14-16-4-2-3-5-19(16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-8-15-6-9-17(26)10-7-15/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31);3*2-13H,14H2,1H3,(H,30,33)(H,31,32)/b11-7+;12-6+;11-7+;12-8+
InChIKeyVZGHHMRUIBPNMT-FILLNCBMSA-N
XLogP22.33
TPSA295.73 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001899.83
LogP ≤ 522.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indazole-5-carboxamide
CID 60034967
N-[(3,5-dimethoxyphenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034982
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-5-carboxamide
CID 60035075
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indazole-5-carboxamide
CID 68927406
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-1H-indazole-5-carboxamide
CID 68928462
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-5-carboxamide
CID 68932256
N-[(3,5-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68934198
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68934940
N-[(2,4-dimethoxyphenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136004431
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 136004478
N-[(3,5-dimethoxyphenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136004485
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
CID 136004530

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (CID 161440877) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2cccc(C(F)(F)F)c2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCc2ccccc2C(F)(F)F)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is VZGHHMRUIBPNMT-FILLNCBMSA-N. The full InChI is InChI=1S/C27H26FN3O5.3C25H19F4N3O2/c1-33-18-13-23(34-2)20(24(14-18)35-3)15-29-27(32)19-10-12-22-25(26(19)36-4)21(30-31-22)11-7-16-5-8-17(28)9-6-16;1-34-23-19(24(33)30-14-16-2-7-17(8-3-16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-6-15-4-9-18(26)10-5-15;1-34-23-19(24(33)30-14-16-3-2-4-17(13-16)25(27,28)29)10-12-21-22(23)20(31-32-21)11-7-15-5-8-18(26)9-6-15;1-34-23-18(24(33)30-14-16-4-2-3-5-19(16)25(27,28)29)11-13-21-22(23)20(31-32-21)12-8-15-6-9-17(26)10-7-15/h5-14H,15H2,1-4H3,(H,29,32)(H,30,31);3*2-13H,14H2,1H3,(H,30,33)(H,31,32)/b11-7+;12-6+;11-7+;12-8+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 1899.83 g/mol, XLogP of 22.33, 27 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 161440877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).