1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

C123H103F16N21O10 — CID 157192545

About 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 157192545) has the molecular formula C123H103F16N21O10 and a molecular weight of 2339.28 g/mol. Its IUPAC name is 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• PubChem CID: 157192545
• Molecular Formula: C123H103F16N21O10
• Molecular Weight: 2339.28 g/mol
• Exact Mass: 2337.79
• IUPAC Name: 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• SMILES: Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)cc4C)n2)CC3)ccc1F.Cc1cc(OC(F)(F)F)ccc1-n1nc(C(=O)N2CCC3(CC2)C(=O)CCN3c2ccc(F)cc2)cc1-c1cccnc1.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(C(F)(F)F)cc4F)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C#N)c(F)c4)n3)CC1)C(=O)C2
• InChI: InChI=1S/C32H29F4N5O3.C31H27F4N5O3.C30H23F6N5O2.C30H24F2N6O2/c1-20-16-23(5-7-25(20)33)40-13-9-29(42)31(40)10-14-39(15-11-31)30(43)26-18-28(22-4-3-12-37-19-22)41(38-26)27-8-6-24(17-21(27)2)44-32(34,35)36;1-20-17-24(43-31(33,34)35)8-9-26(20)40-27(21-3-2-13-36-19-21)18-25(37-40)29(42)38-15-11-30(12-16-38)28(41)10-14-39(30)23-6-4-22(32)5-7-23;1-16-4-5-17-11-26(42)40(28(17)27(16)33)19-6-9-39(10-7-19)29(43)23-14-24(18-3-2-8-37-15-18)41(38-23)25-13-21(31)20(12-22(25)32)30(34,35)36;1-18-4-5-19-13-27(39)37(29(19)28(18)32)22-8-11-36(12-9-22)30(40)25-15-26(21-3-2-10-34-17-21)38(35-25)23-7-6-20(16-33)24(31)14-23/h3-8,12,16-19H,9-11,13-15H2,1-2H3;2-9,13,17-19H,10-12,14-16H2,1H3;2-5,8,12-15,19H,6-7,9-11H2,1H3;2-7,10,14-15,17,22H,8-9,11-13H2,1H3
• InChIKey: APWHSYZGHUVNBT-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 327.57 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.28
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (CID 157192545) is 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

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

The canonical SMILES for 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)cc4C)n2)CC3)ccc1F.Cc1cc(OC(F)(F)F)ccc1-n1nc(C(=O)N2CCC3(CC2)C(=O)CCN3c2ccc(F)cc2)cc1-c1cccnc1.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(C(F)(F)F)cc4F)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C#N)c(F)c4)n3)CC1)C(=O)C2.

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

The InChIKey is APWHSYZGHUVNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F4N5O3.C31H27F4N5O3.C30H23F6N5O2.C30H24F2N6O2/c1-20-16-23(5-7-25(20)33)40-13-9-29(42)31(40)10-14-39(15-11-31)30(43)26-18-28(22-4-3-12-37-19-22)41(38-26)27-8-6-24(17-21(27)2)44-32(34,35)36;1-20-17-24(43-31(33,34)35)8-9-26(20)40-27(21-3-2-13-36-19-21)18-25(37-40)29(42)38-15-11-30(12-16-38)28(41)10-14-39(30)23-6-4-22(32)5-7-23;1-16-4-5-17-11-26(42)40(28(17)27(16)33)19-6-9-39(10-7-19)29(43)23-14-24(18-3-2-8-37-15-18)41(38-23)25-13-21(31)20(12-22(25)32)30(34,35)36;1-18-4-5-19-13-27(39)37(29(19)28(18)32)22-8-11-36(12-9-22)30(40)25-15-26(21-3-2-10-34-17-21)38(35-25)23-7-6-20(16-33)24(31)14-23/h3-8,12,16-19H,9-11,13-15H2,1-2H3;2-9,13,17-19H,10-12,14-16H2,1H3;2-5,8,12-15,19H,6-7,9-11H2,1H3;2-7,10,14-15,17,22H,8-9,11-13H2,1H3.

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

1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 2339.28 g/mol, XLogP of 22.24, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-4-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;1-(4-fluoro-3-methylphenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 157192545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).