(2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one

C148H118F20N22O10 — CID 162150178

About (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one

(2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one (PubChem CID 162150178) has the molecular formula C148H118F20N22O10 and a molecular weight of 2744.68 g/mol. Its IUPAC name is (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one
• PubChem CID: 162150178
• Molecular Formula: C148H118F20N22O10
• Molecular Weight: 2744.68 g/mol
• Exact Mass: 2742.91
• IUPAC Name: (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one
• SMILES: Cc1c(C(=O)N2CCC3(CC2)C(=O)Cc2ccc(F)c(F)c23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccnnc1.Cc1c(C(=O)N2CCC3(CC2)C(=O)Cc2ccccc23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1cccnc1.Cc1c(C(=O)N2[C@H](C)CC3(C[C@@H]2C)C(=O)Cc2ccc(F)c(F)c23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccnnc1.O=C(c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)N1CCC2(CC1)C(=O)Cc1ccc(F)cc12.O=C(c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)N1CCC2(CC1)C(=O)Cc1ccccc12
• InChI: InChI=1S/C31H26F5N5O2.C30H25F3N4O2.C29H22F5N5O2.C29H22F4N4O2.C29H23F3N4O2/c1-16-13-30(24(42)12-19-4-9-23(32)26(33)25(19)30)14-17(2)40(16)29(43)27-18(3)28(20-10-11-37-38-15-20)41(39-27)22-7-5-21(6-8-22)31(34,35)36;1-19-26(28(39)36-15-12-29(13-16-36)24-7-3-2-5-20(24)17-25(29)38)35-37(27(19)21-6-4-14-34-18-21)23-10-8-22(9-11-23)30(31,32)33;1-16-25(27(41)38-12-9-28(10-13-38)22(40)14-17-2-7-21(30)24(31)23(17)28)37-39(26(16)18-8-11-35-36-15-18)20-5-3-19(4-6-20)29(32,33)34;30-21-4-1-19-15-26(38)28(23(19)16-21)9-13-36(14-10-28)27(39)24-17-25(18-7-11-34-12-8-18)37(35-24)22-5-2-20(3-6-22)29(31,32)33;30-29(31,32)21-5-7-22(8-6-21)36-25(19-9-13-33-14-10-19)18-24(34-36)27(38)35-15-11-28(12-16-35)23-4-2-1-3-20(23)17-26(28)37/h4-11,15-17H,12-14H2,1-3H3;2-11,14,18H,12-13,15-17H2,1H3;2-8,11,15H,9-10,12-14H2,1H3;1-8,11-12,16-17H,9-10,13-15H2;1-10,13-14,18H,11-12,15-17H2/t16-,17+,30?
• InChIKey: ZLCDOSJOEIAZFY-RADDLCSESA-N
• XLogP: 27.45
• TPSA: 366.23 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2744.68
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one?

The IUPAC name of (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one (CID 162150178) is (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one.

What is the SMILES notation for (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one?

The canonical SMILES for (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one is Cc1c(C(=O)N2CCC3(CC2)C(=O)Cc2ccc(F)c(F)c23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccnnc1.Cc1c(C(=O)N2CCC3(CC2)C(=O)Cc2ccccc23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1cccnc1.Cc1c(C(=O)N2[C@H](C)CC3(C[C@@H]2C)C(=O)Cc2ccc(F)c(F)c23)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccnnc1.O=C(c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)N1CCC2(CC1)C(=O)Cc1ccc(F)cc12.O=C(c1cc(-c2ccncc2)n(-c2ccc(C(F)(F)F)cc2)n1)N1CCC2(CC1)C(=O)Cc1ccccc12.

What is the InChIKey of (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one?

The InChIKey is ZLCDOSJOEIAZFY-RADDLCSESA-N. The full InChI is InChI=1S/C31H26F5N5O2.C30H25F3N4O2.C29H22F5N5O2.C29H22F4N4O2.C29H23F3N4O2/c1-16-13-30(24(42)12-19-4-9-23(32)26(33)25(19)30)14-17(2)40(16)29(43)27-18(3)28(20-10-11-37-38-15-20)41(39-27)22-7-5-21(6-8-22)31(34,35)36;1-19-26(28(39)36-15-12-29(13-16-36)24-7-3-2-5-20(24)17-25(29)38)35-37(27(19)21-6-4-14-34-18-21)23-10-8-22(9-11-23)30(31,32)33;1-16-25(27(41)38-12-9-28(10-13-38)22(40)14-17-2-7-21(30)24(31)23(17)28)37-39(26(16)18-8-11-35-36-15-18)20-5-3-19(4-6-20)29(32,33)34;30-21-4-1-19-15-26(38)28(23(19)16-21)9-13-36(14-10-28)27(39)24-17-25(18-7-11-34-12-8-18)37(35-24)22-5-2-20(3-6-22)29(31,32)33;30-29(31,32)21-5-7-22(8-6-21)36-25(19-9-13-33-14-10-19)18-24(34-36)27(38)35-15-11-28(12-16-35)23-4-2-1-3-20(23)17-26(28)37/h4-11,15-17H,12-14H2,1-3H3;2-11,14,18H,12-13,15-17H2,1H3;2-8,11,15H,9-10,12-14H2,1H3;1-8,11-12,16-17H,9-10,13-15H2;1-10,13-14,18H,11-12,15-17H2/t16-,17+,30?;;;;.

What are the key properties of (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one?

(2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one has a molecular weight of 2744.68 g/mol, XLogP of 27.45, 15 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,6'S)-4,5-difluoro-2',6'-dimethyl-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;4,5-difluoro-1'-[4-methyl-5-pyridazin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;5-fluoro-1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[4-methyl-5-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one;1'-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]spiro[1H-indene-3,4'-piperidine]-2-one is sourced from PubChem (CID 162150178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).