2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide

C102H78F10N18O7S — CID 159643861

IUPAC2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
SMILESCNCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccc2c(c1)OCO2)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccncc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccsc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C24H17F2N3O3.C22H16F2N4O.C21H15F2N3OS.C18H16F2N4O.C17H14F2N4O/c25-16-5-1-14(2-6-16)3-7-19-17-11-21(18(26)12-20(17)29-28-19)27-24(30)10-15-4-8-22-23(9-15)32-13-31-22;23-16-4-1-14(2-5-16)3-6-19-17-12-21(18(24)13-20(17)28-27-19)26-22(29)11-15-7-9-25-10-8-15;22-15-4-1-13(2-5-15)3-6-18-16-10-20(17(23)11-19(16)26-25-18)24-21(27)9-14-7-8-28-12-14;1-21-10-18(25)22-17-8-13-15(23-24-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11;18-11-4-1-10(2-5-11)3-6-14-12-7-16(21-17(24)9-20)13(19)8-15(12)23-22-14/h1-9,11-12H,10,13H2,(H,27,30)(H,28,29);1-10,12-13H,11H2,(H,26,29)(H,27,28);1-8,10-12H,9H2,(H,24,27)(H,25,26);2-9,21H,10H2,1H3,(H,22,25)(H,23,24);1-8H,9,20H2,(H,21,24)(H,22,23)/b7-3+;2*6-3+;7-4+;6-3+
InChIKeyMQRXHVHMYLAMMD-VZKBRMRUSA-N
MW1889.91 g/mol
LogP20.84
Rot. Bonds24

About 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide

2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide (PubChem CID 159643861) has the molecular formula C102H78F10N18O7S and a molecular weight of 1889.91 g/mol. Its IUPAC name is 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
PubChem CID159643861
Molecular FormulaC102H78F10N18O7S
Molecular Weight1889.91 g/mol
Exact Mass1888.59
IUPAC Name2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
SMILESCNCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccc2c(c1)OCO2)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccncc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccsc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C24H17F2N3O3.C22H16F2N4O.C21H15F2N3OS.C18H16F2N4O.C17H14F2N4O/c25-16-5-1-14(2-6-16)3-7-19-17-11-21(18(26)12-20(17)29-28-19)27-24(30)10-15-4-8-22-23(9-15)32-13-31-22;23-16-4-1-14(2-5-16)3-6-19-17-12-21(18(24)13-20(17)28-27-19)26-22(29)11-15-7-9-25-10-8-15;22-15-4-1-13(2-5-15)3-6-18-16-10-20(17(23)11-19(16)26-25-18)24-21(27)9-14-7-8-28-12-14;1-21-10-18(25)22-17-8-13-15(23-24-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11;18-11-4-1-10(2-5-11)3-6-14-12-7-16(21-17(24)9-20)13(19)8-15(12)23-22-14/h1-9,11-12H,10,13H2,(H,27,30)(H,28,29);1-10,12-13H,11H2,(H,26,29)(H,27,28);1-8,10-12H,9H2,(H,24,27)(H,25,26);2-9,21H,10H2,1H3,(H,22,25)(H,23,24);1-8H,9,20H2,(H,21,24)(H,22,23)/b7-3+;2*6-3+;7-4+;6-3+
InChIKeyMQRXHVHMYLAMMD-VZKBRMRUSA-N
XLogP20.84
TPSA358.30 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.91
LogP ≤ 520.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 161921528
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 172933041
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;(E)-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide;N-[3-[3-[(E)-pyrrol-1-yliminomethyl]-2H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 172953752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide (CID 159643861) is 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide is CNCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.NCC(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccc2c(c1)OCO2)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccncc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.O=C(Cc1ccsc1)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F.
What is the InChIKey of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
The InChIKey is MQRXHVHMYLAMMD-VZKBRMRUSA-N. The full InChI is InChI=1S/C24H17F2N3O3.C22H16F2N4O.C21H15F2N3OS.C18H16F2N4O.C17H14F2N4O/c25-16-5-1-14(2-6-16)3-7-19-17-11-21(18(26)12-20(17)29-28-19)27-24(30)10-15-4-8-22-23(9-15)32-13-31-22;23-16-4-1-14(2-5-16)3-6-19-17-12-21(18(24)13-20(17)28-27-19)26-22(29)11-15-7-9-25-10-8-15;22-15-4-1-13(2-5-15)3-6-18-16-10-20(17(23)11-19(16)26-25-18)24-21(27)9-14-7-8-28-12-14;1-21-10-18(25)22-17-8-13-15(23-24-16(13)9-14(17)20)7-4-11-2-5-12(19)6-3-11;18-11-4-1-10(2-5-11)3-6-14-12-7-16(21-17(24)9-20)13(19)8-15(12)23-22-14/h1-9,11-12H,10,13H2,(H,27,30)(H,28,29);1-10,12-13H,11H2,(H,26,29)(H,27,28);1-8,10-12H,9H2,(H,24,27)(H,25,26);2-9,21H,10H2,1H3,(H,22,25)(H,23,24);1-8H,9,20H2,(H,21,24)(H,22,23)/b7-3+;2*6-3+;7-4+;6-3+.
What are the key properties of 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide?
2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide has a molecular weight of 1889.91 g/mol, XLogP of 20.84, 24 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(1,3-benzodioxol-5-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 159643861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).