6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

C116H100F18N22O10S2 — CID 161305846

About 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (PubChem CID 161305846) has the molecular formula C116H100F18N22O10S2 and a molecular weight of 2368.32 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.

Molecular Properties

• Compound Name: 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
• PubChem CID: 161305846
• Molecular Formula: C116H100F18N22O10S2
• Molecular Weight: 2368.32 g/mol
• Exact Mass: 2366.71
• IUPAC Name: 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
• SMILES: C=S1(=O)CCS(=O)(=O)C12CCN(C(=O)c1cc(-c3ccncc3)n(-c3ccc(C(F)(F)F)cc3)n1)CC2.CC(F)(F)c1ccc2c(c1)NC(=O)C2N1CC2(CN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)C2)C1.C[C@@H]1CN(C2C(=O)Nc3cc(C(C)(F)F)ccc32)C[C@H](C)N1C(=O)c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1c(F)c(F)cc2c1NC(=O)C2N1CCN(C(=O)c2cc(-c3ccncc3)n(-c3ccc(C(F)(F)F)cc3)n2)CC1
• InChI: InChI=1S/C32H29F5N6O2.C31H25F5N6O2.C29H23F5N6O2.C24H23F3N4O4S2/c1-18-16-41(28-24-9-6-22(31(3,33)34)14-25(24)39-29(28)44)17-19(2)42(18)30(45)26-15-27(20-10-12-38-13-11-20)43(40-26)23-7-4-21(5-8-23)32(35,36)37;1-29(32,33)20-4-7-22-23(12-20)38-27(43)26(22)40-14-30(15-40)16-41(17-30)28(44)24-13-25(18-8-10-37-11-9-18)42(39-24)21-5-2-19(3-6-21)31(34,35)36;1-16-24(31)21(30)14-20-25(16)36-27(41)26(20)38-10-12-39(13-11-38)28(42)22-15-23(17-6-8-35-9-7-17)40(37-22)19-4-2-18(3-5-19)29(32,33)34;1-36(33)14-15-37(34,35)23(36)8-12-30(13-9-23)22(32)20-16-21(17-6-10-28-11-7-17)31(29-20)19-4-2-18(3-5-19)24(25,26)27/h4-15,18-19,28H,16-17H2,1-3H3,(H,39,44);2-13,26H,14-17H2,1H3,(H,38,43);2-9,14-15,26H,10-13H2,1H3,(H,36,41);2-7,10-11,16H,1,8-9,12-15H2/t18-,19+,28?
• InChIKey: VIFTZRZQEIOEAB-SXRRVPSNSA-N
• XLogP: 19.83
• TPSA: 352.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.32
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?

The IUPAC name of 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (CID 161305846) is 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.

What is the SMILES notation for 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?

The canonical SMILES for 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is C=S1(=O)CCS(=O)(=O)C12CCN(C(=O)c1cc(-c3ccncc3)n(-c3ccc(C(F)(F)F)cc3)n1)CC2.CC(F)(F)c1ccc2c(c1)NC(=O)C2N1CC2(CN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)C2)C1.C[C@@H]1CN(C2C(=O)Nc3cc(C(C)(F)F)ccc32)C[C@H](C)N1C(=O)c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1c(F)c(F)cc2c1NC(=O)C2N1CCN(C(=O)c2cc(-c3ccncc3)n(-c3ccc(C(F)(F)F)cc3)n2)CC1.

What is the InChIKey of 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?

The InChIKey is VIFTZRZQEIOEAB-SXRRVPSNSA-N. The full InChI is InChI=1S/C32H29F5N6O2.C31H25F5N6O2.C29H23F5N6O2.C24H23F3N4O4S2/c1-18-16-41(28-24-9-6-22(31(3,33)34)14-25(24)39-29(28)44)17-19(2)42(18)30(45)26-15-27(20-10-12-38-13-11-20)43(40-26)23-7-4-21(5-8-23)32(35,36)37;1-29(32,33)20-4-7-22-23(12-20)38-27(43)26(22)40-14-30(15-40)16-41(17-30)28(44)24-13-25(18-8-10-37-11-9-18)42(39-24)21-5-2-19(3-6-21)31(34,35)36;1-16-24(31)21(30)14-20-25(16)36-27(41)26(20)38-10-12-39(13-11-38)28(42)22-15-23(17-6-8-35-9-7-17)40(37-22)19-4-2-18(3-5-19)29(32,33)34;1-36(33)14-15-37(34,35)23(36)8-12-30(13-9-23)22(32)20-16-21(17-6-10-28-11-7-17)31(29-20)19-4-2-18(3-5-19)24(25,26)27/h4-15,18-19,28H,16-17H2,1-3H3,(H,39,44);2-13,26H,14-17H2,1H3,(H,38,43);2-9,14-15,26H,10-13H2,1H3,(H,36,41);2-7,10-11,16H,1,8-9,12-15H2/t18-,19+,28?;;;.

What are the key properties of 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?

6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone has a molecular weight of 2368.32 g/mol, XLogP of 19.83, 17 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-difluoroethyl)-3-[(3S,5R)-3,5-dimethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;6-(1,1-difluoroethyl)-3-[2-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-1,3-dihydroindol-2-one;5,6-difluoro-7-methyl-3-[4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one;(1-methylidene-1,4,4-trioxo-1λ6,4λ6-dithia-8-azaspiro[4.5]decan-8-yl)-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 161305846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).