3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one

C145H173N13O6 — CID 157467985

About 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one

3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 157467985) has the molecular formula C145H173N13O6 and a molecular weight of 2194.06 g/mol. Its IUPAC name is 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one.

Molecular Properties

• Compound Name: 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
• PubChem CID: 157467985
• Molecular Formula: C145H173N13O6
• Molecular Weight: 2194.06 g/mol
• Exact Mass: 2192.36
• IUPAC Name: 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
• SMILES: CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCC4)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3C2(C)c2ccccc2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.CCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O
• InChI: InChI=1S/C26H30N2O.C26H32N2O.C25H30N2O.C24H30N2O.C22H25N3O.C22H26N2O/c1-25(19-8-4-2-5-9-19)22-18(14-20-23(25)24(28-27-20)17-10-11-17)15-26(16-21(22)29)12-6-3-7-13-26;1-25(2)15-18-14-20-23(24(28-27-20)17-10-6-4-7-11-17)26(3,22(18)21(29)16-25)19-12-8-5-9-13-19;1-24(2)14-17-13-19-22(23(27-26-19)16-9-7-8-10-16)25(3,21(17)20(28)15-24)18-11-5-4-6-12-18;1-6-15(2)22-21-18(25-26-22)12-16-13-23(3,4)14-19(27)20(16)24(21,5)17-10-8-7-9-11-17;1-21(2)10-14-9-16-19(20(25-24-16)13-6-7-13)22(3,18(14)17(26)11-21)15-5-4-8-23-12-15;1-13-8-6-7-9-16(13)22(5)19-14(2)23-24-17(19)10-15-11-21(3,4)12-18(25)20(15)22/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,27,28);5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,26,27);7-11,15H,6,12-14H2,1-5H3,(H,25,26);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24)
• InChIKey: BURVGXLVGDYGGA-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 287.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.06
LogP ≤ 5	31.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The IUPAC name of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 157467985) is 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one.

What is the SMILES notation for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The canonical SMILES for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one is CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCC4)c3C2(C)c2ccccc2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CCCCC4)c3C2(C)c2ccccc2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.CCC(C)c1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.

What is the InChIKey of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The InChIKey is BURVGXLVGDYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O.C26H32N2O.C25H30N2O.C24H30N2O.C22H25N3O.C22H26N2O/c1-25(19-8-4-2-5-9-19)22-18(14-20-23(25)24(28-27-20)17-10-11-17)15-26(16-21(22)29)12-6-3-7-13-26;1-25(2)15-18-14-20-23(24(28-27-20)17-10-6-4-7-11-17)26(3,22(18)21(29)16-25)19-12-8-5-9-13-19;1-24(2)14-17-13-19-22(23(27-26-19)16-9-7-8-10-16)25(3,21(17)20(28)15-24)18-11-5-4-6-12-18;1-6-15(2)22-21-18(25-26-22)12-16-13-23(3,4)14-19(27)20(16)24(21,5)17-10-8-7-9-11-17;1-21(2)10-14-9-16-19(20(25-24-16)13-6-7-13)22(3,18(14)17(26)11-21)15-5-4-8-23-12-15;1-13-8-6-7-9-16(13)22(5)19-14(2)23-24-17(19)10-15-11-21(3,4)12-18(25)20(15)22/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,27,28);5,8-9,12-13,17H,4,6-7,10-11,14-16H2,1-3H3,(H,27,28);4-6,11-12,16H,7-10,13-15H2,1-3H3,(H,26,27);7-11,15H,6,12-14H2,1-5H3,(H,25,26);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24).

What are the key properties of 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 2194.06 g/mol, XLogP of 31.65, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclohexyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopentyl-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-cyclopropyl-4-methyl-4-phenylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-7,1'-cyclohexane]-5-one;3-cyclopropyl-4,7,7-trimethyl-4-pyridin-3-yl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 157467985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).