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

C151H120ClF16IN28O10 — CID 159680050

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

1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one (PubChem CID 159680050) has the molecular formula C151H120ClF16IN28O10 and a molecular weight of 2953.13 g/mol. Its IUPAC name is 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one.

Molecular Properties

• Compound Name: 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one
• PubChem CID: 159680050
• Molecular Formula: C151H120ClF16IN28O10
• Molecular Weight: 2953.13 g/mol
• Exact Mass: 2950.82
• IUPAC Name: 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one
• SMILES: Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C#N)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C#N)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4Cl)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.O=C(c1cc(-c2cccnc2)n(-c2ccc(I)cc2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.[C-]#[N+]c1c(C)ccc2c1N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2
• InChI: InChI=1S/2C31H24F4N6O2.C30H23ClF5N5O2.C30H24F2N6O2.C29H25FIN5O2/c1-18-5-6-19-14-27(42)40(29(19)28(18)36-2)21-9-12-39(13-10-21)30(43)25-16-26(20-4-3-11-37-17-20)41(38-25)22-7-8-23(24(32)15-22)31(33,34)35;1-18-4-5-19-14-27(42)40(29(19)28(18)32)23-8-11-39(12-9-23)30(43)24-15-26(20-3-2-10-37-17-20)41(38-24)25-7-6-22(31(33,34)35)13-21(25)16-36;1-16-4-5-17-13-25(42)40(27(17)26(16)33)18-8-11-39(12-9-18)29(43)23-15-24(20-3-2-10-37-28(20)31)41(38-23)19-6-7-21(22(32)14-19)30(34,35)36;1-18-4-5-19-14-27(39)37(29(19)28(18)32)22-8-11-36(12-9-22)30(40)25-15-26(20-3-2-10-34-17-20)38(35-25)23-6-7-24(31)21(13-23)16-33;30-21-3-7-23(8-4-21)35-15-11-27(37)29(35)12-16-34(17-13-29)28(38)25-18-26(20-2-1-14-32-19-20)36(33-25)24-9-5-22(31)6-10-24/h3-8,11,15-17,21H,9-10,12-14H2,1H3;2-7,10,13,15,17,23H,8-9,11-12,14H2,1H3;2-7,10,14-15,18H,8-9,11-13H2,1H3;2-7,10,13,15,17,22H,8-9,11-12,14H2,1H3;1-10,14,18-19H,11-13,15-17H2
• InChIKey: MVCBZMATKJGJFZ-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 408.59 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2953.13
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one (CID 159680050) is 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one.

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

The canonical SMILES for 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one is Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)cc4C#N)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(F)c(C#N)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4Cl)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.O=C(c1cc(-c2cccnc2)n(-c2ccc(I)cc2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.[C-]#[N+]c1c(C)ccc2c1N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.

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

The InChIKey is MVCBZMATKJGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H24F4N6O2.C30H23ClF5N5O2.C30H24F2N6O2.C29H25FIN5O2/c1-18-5-6-19-14-27(42)40(29(19)28(18)36-2)21-9-12-39(13-10-21)30(43)25-16-26(20-4-3-11-37-17-20)41(38-25)22-7-8-23(24(32)15-22)31(33,34)35;1-18-4-5-19-14-27(42)40(29(19)28(18)32)23-8-11-39(12-9-23)30(43)24-15-26(20-3-2-10-37-17-20)41(38-24)25-7-6-22(31(33,34)35)13-21(25)16-36;1-16-4-5-17-13-25(42)40(27(17)26(16)33)18-8-11-39(12-9-18)29(43)23-15-24(20-3-2-10-37-28(20)31)41(38-23)19-6-7-21(22(32)14-19)30(34,35)36;1-18-4-5-19-14-27(39)37(29(19)28(18)32)22-8-11-36(12-9-22)30(40)25-15-26(20-3-2-10-34-17-20)38(35-25)23-6-7-24(31)21(13-23)16-33;30-21-3-7-23(8-4-21)35-15-11-27(37)29(35)12-16-34(17-13-29)28(38)25-18-26(20-2-1-14-32-19-20)36(33-25)24-9-5-22(31)6-10-24/h3-8,11,15-17,21H,9-10,12-14H2,1H3;2-7,10,13,15,17,23H,8-9,11-12,14H2,1H3;2-7,10,14-15,18H,8-9,11-13H2,1H3;2-7,10,13,15,17,22H,8-9,11-12,14H2,1H3;1-10,14,18-19H,11-13,15-17H2.

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

1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one has a molecular weight of 2953.13 g/mol, XLogP of 27.72, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-(2-chloro-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-7-fluoro-6-methyl-3H-indol-2-one;2-fluoro-5-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]benzonitrile;2-[3-[4-(7-fluoro-6-methyl-2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]-5-pyridin-3-ylpyrazol-1-yl]-5-(trifluoromethyl)benzonitrile;1-(4-fluorophenyl)-8-[1-(4-iodophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-7-isocyano-6-methyl-3H-indol-2-one is sourced from PubChem (CID 159680050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).