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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid

C79H59F8N15O7 — CID 158770405

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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
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/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/2C16H11F2N3O2.2C16H13F2N3.C15H11N3O3/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;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;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;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h2*2-9H,1H3;2*2-9H,19H2,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b6-5+;7-6+;6-5+;7-6+;
InChIKeyIPUGNYIROVWMMK-RSDAFPLVSA-N
MW1482.42 g/mol
LogP17.58
Rot. Bonds13

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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid

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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid (PubChem CID 158770405) has the molecular formula C79H59F8N15O7 and a molecular weight of 1482.42 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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid.

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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
PubChem CID158770405
Molecular FormulaC79H59F8N15O7
Molecular Weight1482.42 g/mol
Exact Mass1481.46
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
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/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/2C16H11F2N3O2.2C16H13F2N3.C15H11N3O3/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;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;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;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h2*2-9H,1H3;2*2-9H,19H2,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b6-5+;7-6+;6-5+;7-6+;
InChIKeyIPUGNYIROVWMMK-RSDAFPLVSA-N
XLogP17.58
TPSA304.68 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.42
LogP ≤ 517.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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'}

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Related Compounds

ethyl 6-[4-[[4-nitro-3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate;1-ethyl-6-[4-[[4-nitro-3-(trifluoromethyl)benzoyl]amino]phenyl]indazole-3-carboxylic acid
CID 159618007
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazol-5-yl]carbamate;6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide
CID 157606767
5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
CID 157740196
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;5-nitro-1H-indazol-3-amine
CID 158167655
4-[3-[4-(3-Aminopropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[3-[4-(3-hydroxypropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;bis(4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid);[4-[1-[4-(piperazine-1-carbonyl)phenyl]indazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 158508667
5-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;6-fluoro-3-[(E)-2-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;5-N-[(1S)-2-hydroxy-1-phenylethyl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 159130226
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-amine;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid
CID 160101829
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazol-5-yl]carbamate;6-fluoro-1-methyl-3-[(E)-2-naphthalen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-3-[(E)-2-naphthalen-2-ylethenyl]-1H-indazol-5-amine
CID 161601130

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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid (CID 158770405) 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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid.
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid 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/c2ccccc2F)c2cc([N+](=O)[O-])c(F)cc21.O=C(O)c1ccc2[nH]nc(C(=O)Nc3ccccc3)c2c1.
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
The InChIKey is IPUGNYIROVWMMK-RSDAFPLVSA-N. The full InChI is InChI=1S/2C16H11F2N3O2.2C16H13F2N3.C15H11N3O3/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;1-20-15-9-13(18)16(21(22)23)8-11(15)14(19-20)7-6-10-4-2-3-5-12(10)17;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;19-14(16-10-4-2-1-3-5-10)13-11-8-9(15(20)21)6-7-12(11)17-18-13/h2*2-9H,1H3;2*2-9H,19H2,1H3;1-8H,(H,16,19)(H,17,18)(H,20,21)/b6-5+;7-6+;6-5+;7-6+;.
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid?
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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid has a molecular weight of 1482.42 g/mol, XLogP of 17.58, 13 rotatable bonds, 5 hydrogen bond donors, and 17 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-(2-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-nitroindazole;3-(phenylcarbamoyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 158770405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).