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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one

C121H138F4N12O5 — CID 161318608

About 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 161318608) has the molecular formula C121H138F4N12O5 and a molecular weight of 1916.51 g/mol. Its IUPAC name is 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one.

Molecular Properties

• Compound Name: 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
• PubChem CID: 161318608
• Molecular Formula: C121H138F4N12O5
• Molecular Weight: 1916.51 g/mol
• Exact Mass: 1915.08
• IUPAC Name: 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
• SMILES: C.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(C5CC(F)(F)C5)c42)CC(C)(C)CC3=O)c1.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O
• InChI: InChI=1S/C26H30N2O.C25H25F2N3O.C25H28F2N2O.C22H25N3O.C22H26N2O.CH4/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;1-23(2)9-15-8-18-21(22(30-29-18)16-10-25(26,27)11-16)24(3,20(15)19(31)12-23)17-6-4-5-14(7-17)13-28;1-14-6-5-7-17(8-14)24(4)20-15(10-23(2,3)13-19(20)30)9-18-21(24)22(29-28-18)16-11-25(26,27)12-16;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);4-7,16H,8-12H2,1-3H3,(H,29,30);5-8,16H,9-13H2,1-4H3,(H,28,29);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24);1H4
• InChIKey: VJVJPWKHYVOPJZ-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 265.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.51
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The IUPAC name of 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 161318608) is 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one.

What is the SMILES notation for 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The canonical SMILES for 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one is C.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C2(C)c2cccc(C#N)c2)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC4)c3C2(C)c2cccnc2)C1.CC1(c2ccccc2)C2=C(Cc3[nH]nc(C4CC4)c31)CC1(CCCCC1)CC2=O.Cc1cccc(C2(C)C3=C(Cc4[nH]nc(C5CC(F)(F)C5)c42)CC(C)(C)CC3=O)c1.Cc1ccccc1C1(C)C2=C(Cc3n[nH]c(C)c31)CC(C)(C)CC2=O.

What is the InChIKey of 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one?

The InChIKey is VJVJPWKHYVOPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O.C25H25F2N3O.C25H28F2N2O.C22H25N3O.C22H26N2O.CH4/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;1-23(2)9-15-8-18-21(22(30-29-18)16-10-25(26,27)11-16)24(3,20(15)19(31)12-23)17-6-4-5-14(7-17)13-28;1-14-6-5-7-17(8-14)24(4)20-15(10-23(2,3)13-19(20)30)9-18-21(24)22(29-28-18)16-11-25(26,27)12-16;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);4-7,16H,8-12H2,1-3H3,(H,29,30);5-8,16H,9-13H2,1-4H3,(H,28,29);4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,24,25);6-9H,10-12H2,1-5H3,(H,23,24);1H4.

What are the key properties of 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 1916.51 g/mol, XLogP of 26.32, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-4-(3-methylphenyl)-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-[3-(3,3-difluorocyclobutyl)-4,7,7-trimethyl-5-oxo-1,6,8,9-tetrahydrobenzo[f]indazol-4-yl]benzonitrile;methane;3,4,7,7-tetramethyl-4-(2-methylphenyl)-2,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 161318608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).