1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

C121H103BrF14N20O8 — CID 157267794

About 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 157267794) has the molecular formula C121H103BrF14N20O8 and a molecular weight of 2311.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• PubChem CID: 157267794
• Molecular Formula: C121H103BrF14N20O8
• Molecular Weight: 2311.16 g/mol
• Exact Mass: 2308.72
• IUPAC Name: 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• SMILES: Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n2)CC3)cc(C)c1F.Cc1ccc2c(c1C)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CC(C)N(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)C(C)C1)C(=O)C2.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(Br)cc1
• InChI: InChI=1S/2C31H27F4N5O2.C30H26F3N5O2.C29H23BrF3N5O2/c1-16-6-7-19-11-27(41)39(30(19)28(16)34)21-9-17(2)38(18(3)10-21)31(42)25-14-26(20-5-4-8-36-15-20)40(37-25)22-12-23(32)29(35)24(33)13-22;1-18-12-21(13-19(2)28(18)34)39-9-5-27(41)31(39)6-10-38(11-7-31)30(42)25-16-26(20-4-3-8-36-17-20)40(37-25)22-14-23(32)29(35)24(33)15-22;1-17-5-6-19-12-27(39)37(29(19)18(17)2)21-7-10-36(11-8-21)30(40)25-15-26(20-4-3-9-34-16-20)38(35-25)22-13-23(31)28(33)24(32)14-22;30-19-3-5-20(6-4-19)37-11-7-26(39)29(37)8-12-36(13-9-29)28(40)24-16-25(18-2-1-10-34-17-18)38(35-24)21-14-22(31)27(33)23(32)15-21/h4-8,12-15,17-18,21H,9-11H2,1-3H3;3-4,8,12-17H,5-7,9-11H2,1-2H3;3-6,9,13-16,21H,7-8,10-12H2,1-2H3;1-6,10,14-17H,7-9,11-13H2
• InChIKey: AYEQHTDWFVHCNB-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 285.32 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.16
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The IUPAC name of 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (CID 157267794) is 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

What is the SMILES notation for 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The canonical SMILES for 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n2)CC3)cc(C)c1F.Cc1ccc2c(c1C)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CC(C)N(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)C(C)C1)C(=O)C2.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(Br)cc1.

What is the InChIKey of 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The InChIKey is AYEQHTDWFVHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H27F4N5O2.C30H26F3N5O2.C29H23BrF3N5O2/c1-16-6-7-19-11-27(41)39(30(19)28(16)34)21-9-17(2)38(18(3)10-21)31(42)25-14-26(20-5-4-8-36-15-20)40(37-25)22-12-23(32)29(35)24(33)13-22;1-18-12-21(13-19(2)28(18)34)39-9-5-27(41)31(39)6-10-38(11-7-31)30(42)25-16-26(20-4-3-8-36-17-20)40(37-25)22-14-23(32)29(35)24(33)15-22;1-17-5-6-19-12-27(39)37(29(19)18(17)2)21-7-10-36(11-8-21)30(40)25-15-26(20-4-3-9-34-16-20)38(35-25)22-13-23(31)28(33)24(32)14-22;30-19-3-5-20(6-4-19)37-11-7-26(39)29(37)8-12-36(13-9-29)28(40)24-16-25(18-2-1-10-34-17-18)38(35-24)21-14-22(31)27(33)23(32)15-21/h4-8,12-15,17-18,21H,9-11H2,1-3H3;3-4,8,12-17H,5-7,9-11H2,1-2H3;3-6,9,13-16,21H,7-8,10-12H2,1-2H3;1-6,10,14-17H,7-9,11-13H2.

What are the key properties of 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 2311.16 g/mol, XLogP of 22.06, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[2,6-dimethyl-1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;6,7-dimethyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluoro-3,5-dimethylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 157267794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).