N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide

C115H94F11N15O9 — CID 159608944

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
SMILESCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccccc1.COc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.COc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.C[C@@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22FN3O3.2C23H17F4N3O.C23H20FN3O3.C22H18FN3O/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18;2*1-14(15-4-2-5-16(12-15)23(25,26)27)29-22(31)19-6-3-7-21-20(19)13-28-30(21)18-10-8-17(24)9-11-18;1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17;1-15(16-6-3-2-4-7-16)25-22(27)19-8-5-9-21-20(19)14-24-26(21)18-12-10-17(23)11-13-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29);2*2-14H,1H3,(H,29,31);3-12,14H,13H2,1-2H3,(H,25,28);2-15H,1H3,(H,25,27)/t;14-;;;/m.1.../s1
InChIKeyMMKUKPPNJQGGSA-CLSYCHFPSA-N
MW2039.09 g/mol
LogP24.27
Rot. Bonds25

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide (PubChem CID 159608944) has the molecular formula C115H94F11N15O9 and a molecular weight of 2039.09 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
PubChem CID159608944
Molecular FormulaC115H94F11N15O9
Molecular Weight2039.09 g/mol
Exact Mass2037.72
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
SMILESCC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccccc1.COc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.COc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.C[C@@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22FN3O3.2C23H17F4N3O.C23H20FN3O3.C22H18FN3O/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18;2*1-14(15-4-2-5-16(12-15)23(25,26)27)29-22(31)19-6-3-7-21-20(19)13-28-30(21)18-10-8-17(24)9-11-18;1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17;1-15(16-6-3-2-4-7-16)25-22(27)19-8-5-9-21-20(19)14-24-26(21)18-12-10-17(23)11-13-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29);2*2-14H,1H3,(H,29,31);3-12,14H,13H2,1-2H3,(H,25,28);2-15H,1H3,(H,25,27)/t;14-;;;/m.1.../s1
InChIKeyMMKUKPPNJQGGSA-CLSYCHFPSA-N
XLogP24.27
TPSA271.52 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.09
LogP ≤ 524.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138797
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138915
2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 157326410
2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 157777843
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
CID 157846405
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 158096776
(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;5-iodo-1-methylindazole;methanamine
CID 158576079
(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
CID 159555832
(4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
CID 159735625
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-5-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(1H-indol-5-yl)butane-1,4-dione
CID 160049069
(4S,5R)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;2,2-difluoropropanoic acid;N-[(2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 160896073
CID 161971673
CID 161971673

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide (CID 159608944) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide is CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.CC(NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1ccccc1.COc1ccc(CCNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.COc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1OC.C[C@@H](NC(=O)c1cccc2c1cnn2-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide?
The InChIKey is MMKUKPPNJQGGSA-CLSYCHFPSA-N. The full InChI is InChI=1S/C24H22FN3O3.2C23H17F4N3O.C23H20FN3O3.C22H18FN3O/c1-30-22-11-6-16(14-23(22)31-2)12-13-26-24(29)19-4-3-5-21-20(19)15-27-28(21)18-9-7-17(25)8-10-18;2*1-14(15-4-2-5-16(12-15)23(25,26)27)29-22(31)19-6-3-7-21-20(19)13-28-30(21)18-10-8-17(24)9-11-18;1-29-21-11-6-15(12-22(21)30-2)13-25-23(28)18-4-3-5-20-19(18)14-26-27(20)17-9-7-16(24)8-10-17;1-15(16-6-3-2-4-7-16)25-22(27)19-8-5-9-21-20(19)14-24-26(21)18-12-10-17(23)11-13-18/h3-11,14-15H,12-13H2,1-2H3,(H,26,29);2*2-14H,1H3,(H,29,31);3-12,14H,13H2,1-2H3,(H,25,28);2-15H,1H3,(H,25,27)/t;14-;;;/m.1.../s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide has a molecular weight of 2039.09 g/mol, XLogP of 24.27, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide is sourced from PubChem (CID 159608944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).