3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide

C99H88F5N15O8 — CID 167636614

About 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide

3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide (PubChem CID 167636614) has the molecular formula C99H88F5N15O8 and a molecular weight of 1710.88 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide
• PubChem CID: 167636614
• Molecular Formula: C99H88F5N15O8
• Molecular Weight: 1710.88 g/mol
• Exact Mass: 1709.69
• IUPAC Name: 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide
• SMILES: CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(C2CNC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(C2CCC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC(F)(F)F)c1.O=CO
• InChI: InChI=1S/C26H25N3O.C25H23FN4O.C24H20FN5O2.C23H18F3N3O2.CH2O2/c1-29(17-22-12-6-11-21-16-27-28-25(21)22)26(30)20-13-14-23(18-7-3-2-4-8-18)24(15-20)19-9-5-10-19;1-30(15-19-6-2-5-18-14-28-29-24(18)19)25(31)17-8-9-22(16-4-3-7-21(26)10-16)23(11-17)20-12-27-13-20;1-3-32-23-20(18-9-15(12-26)10-19(25)11-18)7-8-21(28-23)24(31)30(2)14-17-6-4-5-16-13-27-29-22(16)17;1-29(14-18-9-5-8-17-13-27-28-21(17)18)22(30)16-10-11-19(15-6-3-2-4-7-15)20(12-16)31-23(24,25)26;2-1-3/h2-4,6-8,11-16,19H,5,9-10,17H2,1H3,(H,27,28);2-11,14,20,27H,12-13,15H2,1H3,(H,28,29);4-11,13H,3,14H2,1-2H3,(H,27,29);2-13H,14H2,1H3,(H,27,28);1H,(H,2,3)
• InChIKey: OOLIBWDKSWAMQY-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 300.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1710.88
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide?

The IUPAC name of 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide (CID 167636614) is 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide.

What is the SMILES notation for 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide?

The canonical SMILES for 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide is CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(C2CNC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(C2CCC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2ccccc2)c(OC(F)(F)F)c1.O=CO.

What is the InChIKey of 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide?

The InChIKey is OOLIBWDKSWAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O.C25H23FN4O.C24H20FN5O2.C23H18F3N3O2.CH2O2/c1-29(17-22-12-6-11-21-16-27-28-25(21)22)26(30)20-13-14-23(18-7-3-2-4-8-18)24(15-20)19-9-5-10-19;1-30(15-19-6-2-5-18-14-28-29-24(18)19)25(31)17-8-9-22(16-4-3-7-21(26)10-16)23(11-17)20-12-27-13-20;1-3-32-23-20(18-9-15(12-26)10-19(25)11-18)7-8-21(28-23)24(31)30(2)14-17-6-4-5-16-13-27-29-22(16)17;1-29(14-18-9-5-8-17-13-27-28-21(17)18)22(30)16-10-11-19(15-6-3-2-4-7-15)20(12-16)31-23(24,25)26;2-1-3/h2-4,6-8,11-16,19H,5,9-10,17H2,1H3,(H,27,28);2-11,14,20,27H,12-13,15H2,1H3,(H,28,29);4-11,13H,3,14H2,1-2H3,(H,27,29);2-13H,14H2,1H3,(H,27,28);1H,(H,2,3).

What are the key properties of 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide?

3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide has a molecular weight of 1710.88 g/mol, XLogP of 19.51, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(azetidin-3-yl)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-(3-cyano-5-fluorophenyl)-6-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;3-cyclobutyl-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;formic acid;N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenyl-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 167636614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).