N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

C104H91F7N12O16 — CID 161406016

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc3c(c2)OCO3)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(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)cc(OC)c1OC.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/2C27H26FN3O5.C25H19F4N3O2.C25H20FN3O4/c1-33-22-13-17(14-23(34-2)26(22)36-4)15-29-27(32)19-10-12-21-24(25(19)35-3)20(30-31-21)11-7-16-5-8-18(28)9-6-16;1-33-18-13-23(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;1-34-23-18(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;1-31-24-18(25(30)27-13-16-5-11-21-22(12-16)33-14-32-21)8-10-20-23(24)19(28-29-20)9-4-15-2-6-17(26)7-3-15/h2*5-14H,15H2,1-4H3,(H,29,32)(H,30,31);2-13H,14H2,1H3,(H,30,33)(H,31,32);2-12H,13-14H2,1H3,(H,27,30)(H,28,29)/b2*11-7+;12-8+;9-4+
InChIKeyVUVQFKIIQZNRKH-PZYVVSTMSA-N
MW1897.93 g/mol
LogP20.04
Rot. Bonds30

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (PubChem CID 161406016) has the molecular formula C104H91F7N12O16 and a molecular weight of 1897.93 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
PubChem CID161406016
Molecular FormulaC104H91F7N12O16
Molecular Weight1897.93 g/mol
Exact Mass1896.66
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc3c(c2)OCO3)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(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)cc(OC)c1OC.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1
InChIInChI=1S/2C27H26FN3O5.C25H19F4N3O2.C25H20FN3O4/c1-33-22-13-17(14-23(34-2)26(22)36-4)15-29-27(32)19-10-12-21-24(25(19)35-3)20(30-31-21)11-7-16-5-8-18(28)9-6-16;1-33-18-13-23(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;1-34-23-18(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;1-31-24-18(25(30)27-13-16-5-11-21-22(12-16)33-14-32-21)8-10-20-23(24)19(28-29-20)9-4-15-2-6-17(26)7-3-15/h2*5-14H,15H2,1-4H3,(H,29,32)(H,30,31);2-13H,14H2,1H3,(H,30,33)(H,31,32);2-12H,13-14H2,1H3,(H,27,30)(H,28,29)/b2*11-7+;12-8+;9-4+
InChIKeyVUVQFKIIQZNRKH-PZYVVSTMSA-N
XLogP20.04
TPSA341.88 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001897.93
LogP ≤ 520.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

N-benzyl-3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122854
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 8873846
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enimidoyl]-2-methoxybenzamide
CID 142836339
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2826371
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
N-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide
CID 157255865
N-(1,3-benzodioxol-5-ylmethyl)-2,4-difluorobenzamide
CID 4280921
3-[(E)-2-(3-acetylphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 135987975
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 25058216
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide (CID 161406016) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccc3c(c2)OCO3)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(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)cc(OC)c1OC.COc1cc(OC)c(CNC(=O)c2ccc3n[nH]c(/C=C/c4ccc(F)cc4)c3c2OC)c(OC)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is VUVQFKIIQZNRKH-PZYVVSTMSA-N. The full InChI is InChI=1S/2C27H26FN3O5.C25H19F4N3O2.C25H20FN3O4/c1-33-22-13-17(14-23(34-2)26(22)36-4)15-29-27(32)19-10-12-21-24(25(19)35-3)20(30-31-21)11-7-16-5-8-18(28)9-6-16;1-33-18-13-23(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;1-34-23-18(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;1-31-24-18(25(30)27-13-16-5-11-21-22(12-16)33-14-32-21)8-10-20-23(24)19(28-29-20)9-4-15-2-6-17(26)7-3-15/h2*5-14H,15H2,1-4H3,(H,29,32)(H,30,31);2-13H,14H2,1H3,(H,30,33)(H,31,32);2-12H,13-14H2,1H3,(H,27,30)(H,28,29)/b2*11-7+;12-8+;9-4+.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 1897.93 g/mol, XLogP of 20.04, 30 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-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-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 161406016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).