6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole

C63H48F7N13O4 — CID 159047432

IUPAC6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole
SMILESCn1nc(/C=C/c2cccc(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(/C=C/c2ccccc2F)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc([N+](=O)[O-])c(F)cc21
InChIInChI=1S/C16H11F2N3O2.2C16H13F2N3.C15H11FN4O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-11(16)15(20-21)7-6-10-4-2-3-5-12(10)17;1-19-14-8-12(16)15(20(21)22)7-11(14)13(18-19)5-4-10-3-2-6-17-9-10/h2-9H,1H3;2*2-9H,19H2,1H3;2-9H,1H3/b2*6-5+;7-6+;5-4+
InChIKeyJWVHTCGZXWMSCB-MDXVLDRRSA-N
MW1184.15 g/mol
LogP14.32
Rot. Bonds10

About 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole

6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole (PubChem CID 159047432) has the molecular formula C63H48F7N13O4 and a molecular weight of 1184.15 g/mol. Its IUPAC name is 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole.

Molecular Properties

Compound Name6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole
PubChem CID159047432
Molecular FormulaC63H48F7N13O4
Molecular Weight1184.15 g/mol
Exact Mass1183.38
IUPAC Name6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole
SMILESCn1nc(/C=C/c2cccc(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(/C=C/c2ccccc2F)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc([N+](=O)[O-])c(F)cc21
InChIInChI=1S/C16H11F2N3O2.2C16H13F2N3.C15H11FN4O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-11(16)15(20-21)7-6-10-4-2-3-5-12(10)17;1-19-14-8-12(16)15(20(21)22)7-11(14)13(18-19)5-4-10-3-2-6-17-9-10/h2-9H,1H3;2*2-9H,19H2,1H3;2-9H,1H3/b2*6-5+;7-6+;5-4+
InChIKeyJWVHTCGZXWMSCB-MDXVLDRRSA-N
XLogP14.32
TPSA222.49 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.15
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole with MolForge

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Related Compounds

3,3'-[(1,3-Diphenyl-1H-pyrazol-4-yl)methylene]bis(5-nitro-1H-indole)
CID 44419626
3-(2-fluoro-pyridin-4-yl)-5-nitro-1-trityl-1H-indazole
CID 58371921
6-fluoro-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1-tritylindazole
CID 68932932
6-Fluoro-5-nitro-3-(2-pyridin-3-ylethenyl)-1-tritylindazole
CID 68932934
3-(6-Fluoro-3-pyridinyl)-5-nitro-1-tritylindazole
CID 140535953
5-Nitro-2-[3-(trifluoromethyl)phenyl]indazole;2-[3-(trifluoromethyl)phenyl]indazole
CID 160722902
1-[(3,4-Difluorophenyl)methyl]-4,6-dimethyl-5-nitroindole;1-[(3,5-difluorophenyl)methyl]-4,6-dimethyl-5-nitroindole;4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-amine
CID 162226949
2-Cyclohexyl-1-oxidoindazol-1-ium
CID 168333996
5-Nitro-2-[3-(trifluoromethyl)phenyl]indazole;2-[3-(trifluoromethyl)phenyl]indazol-5-amine
CID 158377507
5-Nitro-2-[4-(trifluoromethyl)phenyl]indazole;2-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 161087542
5-nitro-3-(pyridin-4-yl)-1-trityl-1H-indazole
CID 60146025
1-Benzylindazol-5-amine;1-benzyl-5-nitroindazole
CID 70290415

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The IUPAC name of 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole (CID 159047432) is 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole.
What is the SMILES notation for 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The canonical SMILES for 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole is Cn1nc(/C=C/c2cccc(F)c2)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccc(F)c2)c2cc([N+](=O)[O-])c(F)cc21.Cn1nc(/C=C/c2ccccc2F)c2cc(N)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc([N+](=O)[O-])c(F)cc21.
What is the InChIKey of 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole?
The InChIKey is JWVHTCGZXWMSCB-MDXVLDRRSA-N. The full InChI is InChI=1S/C16H11F2N3O2.2C16H13F2N3.C15H11FN4O2/c1-20-15-9-13(18)16(21(22)23)8-12(15)14(19-20)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-12(16)15(20-21)6-5-10-3-2-4-11(17)7-10;1-21-16-9-13(18)14(19)8-11(16)15(20-21)7-6-10-4-2-3-5-12(10)17;1-19-14-8-12(16)15(20(21)22)7-11(14)13(18-19)5-4-10-3-2-6-17-9-10/h2-9H,1H3;2*2-9H,19H2,1H3;2-9H,1H3/b2*6-5+;7-6+;5-4+.
What are the key properties of 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole?
6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole has a molecular weight of 1184.15 g/mol, XLogP of 14.32, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole is sourced from PubChem (CID 159047432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).