8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile

C153H123F21IN31O10 — CID 159282464

About 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile

8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile (PubChem CID 159282464) has the molecular formula C153H123F21IN31O10 and a molecular weight of 3081.74 g/mol. Its IUPAC name is 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile
• PubChem CID: 159282464
• Molecular Formula: C153H123F21IN31O10
• Molecular Weight: 3081.74 g/mol
• Exact Mass: 3079.88
• IUPAC Name: 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile
• SMILES: Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C#N)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C#N)cc4C(F)(F)F)n2)CC3)cc1.Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4cc(-c5cccnc5)n(-c5ccc(C#N)cc5C(F)(F)F)n4)CC3)c2c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.O=C(c1cc(-c2cccnc2)n(-c2ccc(I)c(C(F)(F)F)c2)n1)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1
• InChI: InChI=1S/C32H27F3N6O2.C31H24F7N5O2.C31H26F3N7O2.C30H23F4N7O2.C29H23F4IN6O2/c1-21-4-7-25(8-5-21)40-14-10-29(42)31(40)11-15-39(16-12-31)30(43)26-18-28(22-3-2-13-37-20-22)41(38-26)27-9-6-24(32(33,34)35)17-23(27)19-36;32-21-4-6-22(7-5-21)42-13-9-27(44)29(42)10-14-41(15-11-29)28(45)24-17-26(19-2-1-12-39-18-19)43(40-24)25-8-3-20(30(33,34)35)16-23(25)31(36,37)38;1-20-4-7-23(8-5-20)40-19-37-29(43)30(40)10-13-39(14-11-30)28(42)25-16-27(22-3-2-12-36-18-22)41(38-25)26-9-6-21(17-35)15-24(26)31(32,33)34;1-17-4-6-22-27(26(17)31)40(29(43)37-22)20-8-11-39(12-9-20)28(42)23-14-25(19-3-2-10-36-16-19)41(38-23)24-7-5-18(15-35)13-21(24)30(32,33)34;30-19-3-5-20(6-4-19)39-17-36-27(42)28(39)9-12-38(13-10-28)26(41)24-15-25(18-2-1-11-35-16-18)40(37-24)21-7-8-23(34)22(14-21)29(31,32)33/h2-9,13,17-18,20H,10-12,14-16H2,1H3;1-8,12,16-18H,9-11,13-15H2;2-9,12,15-16,18H,10-11,13-14,19H2,1H3,(H,37,43);2-7,10,13-14,16,20H,8-9,11-12H2,1H3,(H,37,43);1-8,11,14-16H,9-10,12-13,17H2,(H,36,42)
• InChIKey: KZCCTCCJLMPLAN-UHFFFAOYSA-N
• XLogP: 27.51
• TPSA: 469.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3081.74
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile?

The IUPAC name of 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile (CID 159282464) is 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile?

The canonical SMILES for 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile is Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C#N)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C#N)cc4C(F)(F)F)n2)CC3)cc1.Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4cc(-c5cccnc5)n(-c5ccc(C#N)cc5C(F)(F)F)n4)CC3)c2c1F.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)cc2C(F)(F)F)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.O=C(c1cc(-c2cccnc2)n(-c2ccc(I)c(C(F)(F)F)c2)n1)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1.

What is the InChIKey of 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile?

The InChIKey is KZCCTCCJLMPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N6O2.C31H24F7N5O2.C31H26F3N7O2.C30H23F4N7O2.C29H23F4IN6O2/c1-21-4-7-25(8-5-21)40-14-10-29(42)31(40)11-15-39(16-12-31)30(43)26-18-28(22-3-2-13-37-20-22)41(38-26)27-9-6-24(32(33,34)35)17-23(27)19-36;32-21-4-6-22(7-5-21)42-13-9-27(44)29(42)10-14-41(15-11-29)28(45)24-17-26(19-2-1-12-39-18-19)43(40-24)25-8-3-20(30(33,34)35)16-23(25)31(36,37)38;1-20-4-7-23(8-5-20)40-19-37-29(43)30(40)10-13-39(14-11-30)28(42)25-16-27(22-3-2-12-36-18-22)41(38-25)26-9-6-21(17-35)15-24(26)31(32,33)34;1-17-4-6-22-27(26(17)31)40(29(43)37-22)20-8-11-39(12-9-20)28(42)23-14-25(19-3-2-10-36-16-19)41(38-23)24-7-5-18(15-35)13-21(24)30(32,33)34;30-19-3-5-20(6-4-19)39-17-36-27(42)28(39)9-12-38(13-10-28)26(41)24-15-25(18-2-1-11-35-16-18)40(37-24)21-7-8-23(34)22(14-21)29(31,32)33/h2-9,13,17-18,20H,10-12,14-16H2,1H3;1-8,12,16-18H,9-11,13-15H2;2-9,12,15-16,18H,10-11,13-14,19H2,1H3,(H,37,43);2-7,10,13-14,16,20H,8-9,11-12H2,1H3,(H,37,43);1-8,11,14-16H,9-10,12-13,17H2,(H,36,42).

What are the key properties of 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile?

8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile has a molecular weight of 3081.74 g/mol, XLogP of 27.51, 20 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,4-bis(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-[4-iodo-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;2-[3-[1-(4-methylphenyl)-4-oxo-1,8-diazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;4-[3-[1-(4-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159282464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).