2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

C80H57BrF12N16O4 — CID 159736126

About 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 159736126) has the molecular formula C80H57BrF12N16O4 and a molecular weight of 1614.32 g/mol. Its IUPAC name is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
• PubChem CID: 159736126
• Molecular Formula: C80H57BrF12N16O4
• Molecular Weight: 1614.32 g/mol
• Exact Mass: 1612.37
• IUPAC Name: 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
• SMILES: Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3ccoc3)c3ccccc32)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1
• InChI: InChI=1S/C22H15BrF3N3O.C20H16F3N5O.C19H13F3N6O.C19H13F3N2O/c23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;20-19(21,22)15-7-5-13(6-8-15)11-24-17-4-2-1-3-16(17)18(23-24)14-9-10-25-12-14/h1-12H,13H2,(H,27,28,30);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);1-10H,11H2,(H,25,27,29);1-10,12H,11H2
• InChIKey: NBWCOXLXEKPIGO-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 239.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.32
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 159736126) is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1[nH]ncc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3ccoc3)c3ccccc32)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1cccnn1.

What is the InChIKey of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?

The InChIKey is NBWCOXLXEKPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF3N3O.C20H16F3N5O.C19H13F3N6O.C19H13F3N2O/c23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;1-12-16(10-24-26-12)19(29)25-18-15-4-2-3-5-17(15)28(27-18)11-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)16-8-7-12(10-23-16)11-28-15-6-2-1-4-13(15)17(27-28)25-18(29)14-5-3-9-24-26-14;20-19(21,22)15-7-5-13(6-8-15)11-24-17-4-2-1-3-16(17)18(23-24)14-9-10-25-12-14/h1-12H,13H2,(H,27,28,30);2-10H,11H2,1H3,(H,24,26)(H,25,27,29);1-10H,11H2,(H,25,27,29);1-10,12H,11H2.

What are the key properties of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?

2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1614.32 g/mol, XLogP of 19.41, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(furan-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 159736126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).