1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole

C98H86BrFN18OS2 — CID 157237818

About 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole

1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole (PubChem CID 157237818) has the molecular formula C98H86BrFN18OS2 and a molecular weight of 1694.93 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole
• PubChem CID: 157237818
• Molecular Formula: C98H86BrFN18OS2
• Molecular Weight: 1694.93 g/mol
• Exact Mass: 1692.58
• IUPAC Name: 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole
• SMILES: Brc1cccnc1Cn1nc(-c2ccccc2)c2ccccc21.Cc1cccc2c(-c3cc(OCCCC4CCCCC4)ccc3F)nn(Cc3nnn(C)n3)c12.Cc1ncccc1-n1nc(-c2ccccc2)c2ccccc21.c1ccc(-c2nn(Cc3cncs3)c3ccccc23)cc1.c1ccc(-c2nn(Cc3nccs3)c3ccccc23)cc1
• InChI: InChI=1S/C26H31FN6O.C19H14BrN3.C19H15N3.2C17H13N3S/c1-18-8-6-12-21-25(30-33(26(18)21)17-24-28-31-32(2)29-24)22-16-20(13-14-23(22)27)34-15-7-11-19-9-4-3-5-10-19;20-16-10-6-12-21-17(16)13-23-18-11-5-4-9-15(18)19(22-23)14-7-2-1-3-8-14;1-14-17(12-7-13-20-14)22-18-11-6-5-10-16(18)19(21-22)15-8-3-2-4-9-15;1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)20(19-17)11-14-10-18-12-21-14;1-2-6-13(7-3-1)17-14-8-4-5-9-15(14)20(19-17)12-16-18-10-11-21-16/h6,8,12-14,16,19H,3-5,7,9-11,15,17H2,1-2H3;1-12H,13H2;2-13H,1H3;1-10,12H,11H2;1-11H,12H2
• InChIKey: AUVOXJXIEAYEOK-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 193.49 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.93
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole?

The IUPAC name of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole (CID 157237818) is 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole.

What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole?

The canonical SMILES for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole is Brc1cccnc1Cn1nc(-c2ccccc2)c2ccccc21.Cc1cccc2c(-c3cc(OCCCC4CCCCC4)ccc3F)nn(Cc3nnn(C)n3)c12.Cc1ncccc1-n1nc(-c2ccccc2)c2ccccc21.c1ccc(-c2nn(Cc3cncs3)c3ccccc23)cc1.c1ccc(-c2nn(Cc3nccs3)c3ccccc23)cc1.

What is the InChIKey of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole?

The InChIKey is AUVOXJXIEAYEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O.C19H14BrN3.C19H15N3.2C17H13N3S/c1-18-8-6-12-21-25(30-33(26(18)21)17-24-28-31-32(2)29-24)22-16-20(13-14-23(22)27)34-15-7-11-19-9-4-3-5-10-19;20-16-10-6-12-21-17(16)13-23-18-11-5-4-9-15(18)19(22-23)14-7-2-1-3-8-14;1-14-17(12-7-13-20-14)22-18-11-6-5-10-16(18)19(21-22)15-8-3-2-4-9-15;1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)20(19-17)11-14-10-18-12-21-14;1-2-6-13(7-3-1)17-14-8-4-5-9-15(14)20(19-17)12-16-18-10-11-21-16/h6,8,12-14,16,19H,3-5,7,9-11,15,17H2,1-2H3;1-12H,13H2;2-13H,1H3;1-10,12H,11H2;1-11H,12H2.

What are the key properties of 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole?

1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 1694.93 g/mol, XLogP of 23.18, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-bromo-2-pyridinyl)methyl]-3-phenylindazole;3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methyl-1-[(2-methyltetrazol-5-yl)methyl]indazole;1-(2-methyl-3-pyridinyl)-3-phenylindazole;2-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole;5-[(3-phenylindazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 157237818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).