N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole

C70H50F12N12O5 — CID 161083755

IUPACN-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole
SMILESCn1nc(/C=C/c2ccc(F)c(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])c(F)cc21.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H14F3N3O2.C19H14F3N3O.C16H10F3N3O2.C16H12F3N3/c20-12-3-1-10(7-13(12)21)2-4-15-11-8-17(14(22)9-16(11)25-24-15)23-18(26)19(27)5-6-19;20-13-5-1-10(7-14(13)21)2-6-16-12-8-18(23-19(26)11-3-4-11)15(22)9-17(12)25-24-16;1-21-15-8-13(19)16(22(23)24)7-10(15)14(20-21)5-3-9-2-4-11(17)12(18)6-9;1-22-16-8-13(19)14(20)7-10(16)15(21-22)5-3-9-2-4-11(17)12(18)6-9/h1-4,7-9,27H,5-6H2,(H,23,26)(H,24,25);1-2,5-9,11H,3-4H2,(H,23,26)(H,24,25);2-8H,1H3;2-8H,20H2,1H3/b4-2+;6-2+;2*5-3+
InChIKeyUGFWPBJMJVETBA-YHUGLLIFSA-N
MW1367.22 g/mol
LogP15.93
Rot. Bonds13

About N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole

N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole (PubChem CID 161083755) has the molecular formula C70H50F12N12O5 and a molecular weight of 1367.22 g/mol. Its IUPAC name is N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole.

Molecular Properties

Compound NameN-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole
PubChem CID161083755
Molecular FormulaC70H50F12N12O5
Molecular Weight1367.22 g/mol
Exact Mass1366.38
IUPAC NameN-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole
SMILESCn1nc(/C=C/c2ccc(F)c(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])c(F)cc21.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CC1
InChIInChI=1S/C19H14F3N3O2.C19H14F3N3O.C16H10F3N3O2.C16H12F3N3/c20-12-3-1-10(7-13(12)21)2-4-15-11-8-17(14(22)9-16(11)25-24-15)23-18(26)19(27)5-6-19;20-13-5-1-10(7-14(13)21)2-6-16-12-8-18(23-19(26)11-3-4-11)15(22)9-17(12)25-24-16;1-21-15-8-13(19)16(22(23)24)7-10(15)14(20-21)5-3-9-2-4-11(17)12(18)6-9;1-22-16-8-13(19)14(20)7-10(16)15(21-22)5-3-9-2-4-11(17)12(18)6-9/h1-4,7-9,27H,5-6H2,(H,23,26)(H,24,25);1-2,5-9,11H,3-4H2,(H,23,26)(H,24,25);2-8H,1H3;2-8H,20H2,1H3/b4-2+;6-2+;2*5-3+
InChIKeyUGFWPBJMJVETBA-YHUGLLIFSA-N
XLogP15.93
TPSA240.59 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001367.22
LogP ≤ 515.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole with MolForge

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Related Compounds

N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 157225718
3-bromo-6-fluoro-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-fluoro-2-methyl-4-nitroaniline;N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide;N-(5-fluoro-2-methylphenyl)acetamide;6-fluoro-5-nitro-1H-indazole
CID 158968262
3-bromo-6-fluoro-1-methyl-5-nitroindazole;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-fluoro-2-methyl-4-nitroaniline;6-fluoro-5-nitro-1H-indazole
CID 160692195
1-acetyl-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine
CID 160863311
N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-2,2-dimethylpropanamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-3-methylbutanamide
CID 161312569
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxybutanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxy-3-methylbutanamide;N-[6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxypropanamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-3-hydroxypropanamide
CID 162010568
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole
CID 162083538
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;1-N'-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]cyclopropane-1,1-dicarboxamide;N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide
CID 162261363

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole?
The IUPAC name of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole (CID 161083755) is N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole.
What is the SMILES notation for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole?
The canonical SMILES for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole is Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])c(F)cc21.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1(O)CC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CC1.
What is the InChIKey of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole?
The InChIKey is UGFWPBJMJVETBA-YHUGLLIFSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C19H14F3N3O.C16H10F3N3O2.C16H12F3N3/c20-12-3-1-10(7-13(12)21)2-4-15-11-8-17(14(22)9-16(11)25-24-15)23-18(26)19(27)5-6-19;20-13-5-1-10(7-14(13)21)2-6-16-12-8-18(23-19(26)11-3-4-11)15(22)9-17(12)25-24-16;1-21-15-8-13(19)16(22(23)24)7-10(15)14(20-21)5-3-9-2-4-11(17)12(18)6-9;1-22-16-8-13(19)14(20)7-10(16)15(21-22)5-3-9-2-4-11(17)12(18)6-9/h1-4,7-9,27H,5-6H2,(H,23,26)(H,24,25);1-2,5-9,11H,3-4H2,(H,23,26)(H,24,25);2-8H,1H3;2-8H,20H2,1H3/b4-2+;6-2+;2*5-3+.
What are the key properties of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole?
N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole has a molecular weight of 1367.22 g/mol, XLogP of 15.93, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-hydroxycyclopropane-1-carboxamide;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methylindazol-5-amine;3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1-methyl-5-nitroindazole is sourced from PubChem (CID 161083755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).