6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one

C114H83F21N20O8 — CID 159701027

About 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one

6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 159701027) has the molecular formula C114H83F21N20O8 and a molecular weight of 2260.01 g/mol. Its IUPAC name is 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

• Compound Name: 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
• PubChem CID: 159701027
• Molecular Formula: C114H83F21N20O8
• Molecular Weight: 2260.01 g/mol
• Exact Mass: 2258.64
• IUPAC Name: 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
• SMILES: O=C(c1cc(-c2ccccn2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3cc(F)c(F)c(F)c32)CC1
• InChI: InChI=1S/C30H24F5N5O2.C28H19F6N5O2.2C28H20F5N5O2/c31-20-3-5-21(6-4-20)39-13-9-27(41)29(39)10-14-38(15-11-29)28(42)25-17-26(19-2-1-12-36-18-19)40(37-25)22-7-8-23(24(32)16-22)30(33,34)35;29-18-9-15-10-23(40)38(27(15)26(34)25(18)33)16-3-7-37(8-4-16)28(41)21-13-22(14-1-5-35-6-2-14)39(36-21)17-11-19(30)24(32)20(31)12-17;29-19-4-3-15-10-24(39)37(27(15)26(19)33)17-5-8-36(9-6-17)28(40)22-13-23(16-2-1-7-34-14-16)38(35-22)18-11-20(30)25(32)21(31)12-18;29-18-5-4-15-11-24(39)37(27(15)26(18)33)16-6-9-36(10-7-16)28(40)22-14-23(21-3-1-2-8-34-21)38(35-22)17-12-19(30)25(32)20(31)13-17/h1-8,12,16-18H,9-11,13-15H2;1-2,5-6,9,11-13,16H,3-4,7-8,10H2;1-4,7,11-14,17H,5-6,8-10H2;1-5,8,12-14,16H,6-7,9-11H2
• InChIKey: MXPTZELLUWXRTA-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 285.32 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2260.01
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The IUPAC name of 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one (CID 159701027) is 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one.

What is the SMILES notation for 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The canonical SMILES for 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one is O=C(c1cc(-c2ccccn2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1.O=C(c1cc(-c2cccnc2)n(-c2ccc(C(F)(F)F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(F)cc1.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(N2C(=O)Cc3cc(F)c(F)c(F)c32)CC1.

What is the InChIKey of 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The InChIKey is MXPTZELLUWXRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N5O2.C28H19F6N5O2.2C28H20F5N5O2/c31-20-3-5-21(6-4-20)39-13-9-27(41)29(39)10-14-38(15-11-29)28(42)25-17-26(19-2-1-12-36-18-19)40(37-25)22-7-8-23(24(32)16-22)30(33,34)35;29-18-9-15-10-23(40)38(27(15)26(34)25(18)33)16-3-7-37(8-4-16)28(41)21-13-22(14-1-5-35-6-2-14)39(36-21)17-11-19(30)24(32)20(31)12-17;29-19-4-3-15-10-24(39)37(27(15)26(19)33)17-5-8-36(9-6-17)28(40)22-13-23(16-2-1-7-34-14-16)38(35-22)18-11-20(30)25(32)21(31)12-18;29-18-5-4-15-11-24(39)37(27(15)26(18)33)16-6-9-36(10-7-16)28(40)22-14-23(21-3-1-2-8-34-21)38(35-22)17-12-19(30)25(32)20(31)13-17/h1-8,12,16-18H,9-11,13-15H2;1-2,5-6,9,11-13,16H,3-4,7-8,10H2;1-4,7,11-14,17H,5-6,8-10H2;1-5,8,12-14,16H,6-7,9-11H2.

What are the key properties of 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 2260.01 g/mol, XLogP of 20.30, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 159701027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).