6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

C84H68F5N23O5 — CID 161402007

IUPAC6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESCOC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.Cc1nc(-c2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)n[nH]1.Cc1nc(-c2cc3c(/C=C/c4cccnc4)nn(C)c3cc2F)n[nH]1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)NN)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C18H15FN6.C17H13FN6.C17H14FN3O2.C16H14FN5O.C16H12FN3O2/c1-11-21-18(23-22-11)13-8-14-16(6-5-12-4-3-7-20-10-12)24-25(2)17(14)9-15(13)19;1-10-20-17(24-21-10)12-7-13-15(22-23-16(13)8-14(12)18)5-4-11-3-2-6-19-9-11;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-22-15-8-13(17)11(16(23)20-18)7-12(15)14(21-22)5-4-10-3-2-6-19-9-10;1-20-15-8-13(17)11(16(21)22)7-12(15)14(19-20)5-4-10-3-2-6-18-9-10/h3-10H,1-2H3,(H,21,22,23);2-9H,1H3,(H,22,23)(H,20,21,24);3-10H,1-2H3;2-9H,18H2,1H3,(H,20,23);2-9H,1H3,(H,21,22)/b6-5+;5-4+;6-5+;2*5-4+
InChIKeyVUIXHQWJNVLXNU-MOWFBZOUSA-N
MW1574.61 g/mol
LogP14.65
Rot. Bonds15

About 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate

6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (PubChem CID 161402007) has the molecular formula C84H68F5N23O5 and a molecular weight of 1574.61 g/mol. Its IUPAC name is 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.

Molecular Properties

Compound Name6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
PubChem CID161402007
Molecular FormulaC84H68F5N23O5
Molecular Weight1574.61 g/mol
Exact Mass1573.57
IUPAC Name6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
SMILESCOC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.Cc1nc(-c2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)n[nH]1.Cc1nc(-c2cc3c(/C=C/c4cccnc4)nn(C)c3cc2F)n[nH]1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)NN)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)c(F)cc21
InChIInChI=1S/C18H15FN6.C17H13FN6.C17H14FN3O2.C16H14FN5O.C16H12FN3O2/c1-11-21-18(23-22-11)13-8-14-16(6-5-12-4-3-7-20-10-12)24-25(2)17(14)9-15(13)19;1-10-20-17(24-21-10)12-7-13-15(22-23-16(13)8-14(12)18)5-4-11-3-2-6-19-9-11;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-22-15-8-13(17)11(16(23)20-18)7-12(15)14(21-22)5-4-10-3-2-6-19-9-10;1-20-15-8-13(17)11(16(21)22)7-12(15)14(19-20)5-4-10-3-2-6-18-9-10/h3-10H,1-2H3,(H,21,22,23);2-9H,1H3,(H,22,23)(H,20,21,24);3-10H,1-2H3;2-9H,18H2,1H3,(H,20,23);2-9H,1H3,(H,21,22)/b6-5+;5-4+;6-5+;2*5-4+
InChIKeyVUIXHQWJNVLXNU-MOWFBZOUSA-N
XLogP14.65
TPSA366.27 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms117
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.61
LogP ≤ 514.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The IUPAC name of 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate (CID 161402007) is 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate.
What is the SMILES notation for 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The canonical SMILES for 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is COC(=O)c1cc2c(/C=C/c3cccnc3)nn(C)c2cc1F.Cc1nc(-c2cc3c(/C=C/c4cccnc4)n[nH]c3cc2F)n[nH]1.Cc1nc(-c2cc3c(/C=C/c4cccnc4)nn(C)c3cc2F)n[nH]1.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)NN)c(F)cc21.Cn1nc(/C=C/c2cccnc2)c2cc(C(=O)O)c(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
The InChIKey is VUIXHQWJNVLXNU-MOWFBZOUSA-N. The full InChI is InChI=1S/C18H15FN6.C17H13FN6.C17H14FN3O2.C16H14FN5O.C16H12FN3O2/c1-11-21-18(23-22-11)13-8-14-16(6-5-12-4-3-7-20-10-12)24-25(2)17(14)9-15(13)19;1-10-20-17(24-21-10)12-7-13-15(22-23-16(13)8-14(12)18)5-4-11-3-2-6-19-9-11;1-21-16-9-14(18)12(17(22)23-2)8-13(16)15(20-21)6-5-11-4-3-7-19-10-11;1-22-15-8-13(17)11(16(23)20-18)7-12(15)14(21-22)5-4-10-3-2-6-19-9-10;1-20-15-8-13(17)11(16(21)22)7-12(15)14(19-20)5-4-10-3-2-6-18-9-10/h3-10H,1-2H3,(H,21,22,23);2-9H,1H3,(H,22,23)(H,20,21,24);3-10H,1-2H3;2-9H,18H2,1H3,(H,20,23);2-9H,1H3,(H,21,22)/b6-5+;5-4+;6-5+;2*5-4+.
What are the key properties of 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate?
6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate has a molecular weight of 1574.61 g/mol, XLogP of 14.65, 15 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate is sourced from PubChem (CID 161402007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).