2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C85H71F8N13O9S — CID 161400375

IUPAC2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)CC4CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F
InChIInChI=1S/C22H17F2N3O2S.C21H20F2N4O2.C21H15F2N3O3.C21H19F2N3O2/c1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20;1-28-20-7-5-12(8-16(20)23)4-6-17-14-10-19(15(22)11-18(14)26-25-17)24-21(27)9-13-2-3-13/h2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-11H,1H3,(H,24,27)(H,25,26);4-8,10-11,13H,2-3,9H2,1H3,(H,24,27)(H,25,26)/b6-4+;5-3+;2*6-4+
InChIKeyVUDUCHZJRVYAHY-VVFDSEJLSA-N
MW1602.64 g/mol
LogP18.60
Rot. Bonds23

About 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 161400375) has the molecular formula C85H71F8N13O9S and a molecular weight of 1602.64 g/mol. Its IUPAC name is 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID161400375
Molecular FormulaC85H71F8N13O9S
Molecular Weight1602.64 g/mol
Exact Mass1601.51
IUPAC Name2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)CC4CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F
InChIInChI=1S/C22H17F2N3O2S.C21H20F2N4O2.C21H15F2N3O3.C21H19F2N3O2/c1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20;1-28-20-7-5-12(8-16(20)23)4-6-17-14-10-19(15(22)11-18(14)26-25-17)24-21(27)9-13-2-3-13/h2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-11H,1H3,(H,24,27)(H,25,26);4-8,10-11,13H,2-3,9H2,1H3,(H,24,27)(H,25,26)/b6-4+;5-3+;2*6-4+
InChIKeyVUDUCHZJRVYAHY-VVFDSEJLSA-N
XLogP18.60
TPSA293.21 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001602.64
LogP ≤ 518.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 160663485
N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 46886342
N-[3-[(E)-2-[3-(cyclopentylcarbamoylamino)phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362735
N-[6-methyl-3-[(E)-2-[3-(pyridin-4-ylcarbamoylamino)phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362770
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 158733967
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide
CID 76611277
3-[3-fluoro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907775
N-[3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-thiophen-2-ylacetamide
CID 59797033
N-[3-[(E)-2-[3-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamoylamino]phenyl]ethenyl]-6-methyl-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 89362685
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methyl-1-pyrrolidin-1-ylcyclopropane-1-carboxamide
CID 158340656
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1H-pyrrole-2-carboxamide
CID 72628295
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 72628024

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 161400375) is 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(OC)c(F)c4)n[nH]c3cc2F)CC1.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)CC4CC4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)Cc4cccs4)cc23)cc1F.COc1ccc(/C=C/c2n[nH]c3cc(F)c(NC(=O)c4ccco4)cc23)cc1F.
What is the InChIKey of 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VUDUCHZJRVYAHY-VVFDSEJLSA-N. The full InChI is InChI=1S/C22H17F2N3O2S.C21H20F2N4O2.C21H15F2N3O3.C21H19F2N3O2/c1-29-21-7-5-13(9-17(21)24)4-6-18-15-11-20(16(23)12-19(15)27-26-18)25-22(28)10-14-3-2-8-30-14;1-24-21(7-8-21)20(28)25-18-10-13-16(26-27-17(13)11-14(18)22)5-3-12-4-6-19(29-2)15(23)9-12;1-28-19-7-5-12(9-15(19)23)4-6-16-13-10-18(14(22)11-17(13)26-25-16)24-21(27)20-3-2-8-29-20;1-28-20-7-5-12(8-16(20)23)4-6-17-14-10-19(15(22)11-18(14)26-25-17)24-21(27)9-13-2-3-13/h2-9,11-12H,10H2,1H3,(H,25,28)(H,26,27);3-6,9-11,24H,7-8H2,1-2H3,(H,25,28)(H,26,27);2-11H,1H3,(H,24,27)(H,25,26);4-8,10-11,13H,2-3,9H2,1H3,(H,24,27)(H,25,26)/b6-4+;5-3+;2*6-4+.
What are the key properties of 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1602.64 g/mol, XLogP of 18.60, 23 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 161400375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).