N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide

C93H99F4N17O10 — CID 158095234

IUPACN-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCn2ccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C24H27FN4O3.C24H25FN4O3.C23H22FN5O2.C22H25FN4O2/c1-31-23-19(24(30)26-11-2-12-29-13-15-32-16-14-29)8-10-21-22(23)20(27-28-21)9-5-17-3-6-18(25)7-4-17;1-32-23-18(24(31)26-13-3-15-29-14-2-4-21(29)30)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-18(23(30)26-11-2-13-29-14-12-25-15-29)8-10-20-21(22)19(27-28-20)9-5-16-3-6-17(24)7-4-16;1-27(2)14-4-13-24-22(28)17-10-12-19-20(21(17)29-3)18(25-26-19)11-7-15-5-8-16(23)9-6-15/h3-10H,2,11-16H2,1H3,(H,26,30)(H,27,28);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);3-10,12,14-15H,2,11,13H2,1H3,(H,26,30)(H,27,28);5-12H,4,13-14H2,1-3H3,(H,24,28)(H,25,26)/b9-5+;11-7+;9-5+;11-7+
InChIKeyFOOVSSSWMRJBJU-YUTNFNLDSA-N
MW1690.92 g/mol
LogP14.42
Rot. Bonds32

About N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide

N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (PubChem CID 158095234) has the molecular formula C93H99F4N17O10 and a molecular weight of 1690.92 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
PubChem CID158095234
Molecular FormulaC93H99F4N17O10
Molecular Weight1690.92 g/mol
Exact Mass1689.77
IUPAC NameN-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCCN(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCn2ccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12
InChIInChI=1S/C24H27FN4O3.C24H25FN4O3.C23H22FN5O2.C22H25FN4O2/c1-31-23-19(24(30)26-11-2-12-29-13-15-32-16-14-29)8-10-21-22(23)20(27-28-21)9-5-17-3-6-18(25)7-4-17;1-32-23-18(24(31)26-13-3-15-29-14-2-4-21(29)30)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-18(23(30)26-11-2-13-29-14-12-25-15-29)8-10-20-21(22)19(27-28-20)9-5-16-3-6-17(24)7-4-16;1-27(2)14-4-13-24-22(28)17-10-12-19-20(21(17)29-3)18(25-26-19)11-7-15-5-8-16(23)9-6-15/h3-10H,2,11-16H2,1H3,(H,26,30)(H,27,28);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);3-10,12,14-15H,2,11,13H2,1H3,(H,26,30)(H,27,28);5-12H,4,13-14H2,1-3H3,(H,24,28)(H,25,26)/b9-5+;11-7+;9-5+;11-7+
InChIKeyFOOVSSSWMRJBJU-YUTNFNLDSA-N
XLogP14.42
TPSA321.88 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.92
LogP ≤ 514.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 60034657
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034666
3-[2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628063
3-[2-(4-fluorophenyl)ethenyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90775342
3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide
CID 123338933
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(6-methyl-5H-imidazo[1,2-a]pyridin-6-yl)-2H-indazole-5-carboxamide
CID 123588439
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 136004349
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136004356
3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157730782
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158072187
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158253697
2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158618815

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (CID 158095234) is N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCCCN(C)C)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCN2CCOCC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NCCCn2ccnc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The InChIKey is FOOVSSSWMRJBJU-YUTNFNLDSA-N. The full InChI is InChI=1S/C24H27FN4O3.C24H25FN4O3.C23H22FN5O2.C22H25FN4O2/c1-31-23-19(24(30)26-11-2-12-29-13-15-32-16-14-29)8-10-21-22(23)20(27-28-21)9-5-17-3-6-18(25)7-4-17;1-32-23-18(24(31)26-13-3-15-29-14-2-4-21(29)30)10-12-20-22(23)19(27-28-20)11-7-16-5-8-17(25)9-6-16;1-31-22-18(23(30)26-11-2-13-29-14-12-25-15-29)8-10-20-21(22)19(27-28-20)9-5-16-3-6-17(24)7-4-16;1-27(2)14-4-13-24-22(28)17-10-12-19-20(21(17)29-3)18(25-26-19)11-7-15-5-8-16(23)9-6-15/h3-10H,2,11-16H2,1H3,(H,26,30)(H,27,28);5-12H,2-4,13-15H2,1H3,(H,26,31)(H,27,28);3-10,12,14-15H,2,11,13H2,1H3,(H,26,30)(H,27,28);5-12H,4,13-14H2,1-3H3,(H,24,28)(H,25,26)/b9-5+;11-7+;9-5+;11-7+.
What are the key properties of N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide has a molecular weight of 1690.92 g/mol, XLogP of 14.42, 32 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(3-morpholin-4-ylpropyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 158095234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).