7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one

C119H99F15N20O10 — CID 161309418

About 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one

7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one (PubChem CID 161309418) has the molecular formula C119H99F15N20O10 and a molecular weight of 2254.20 g/mol. Its IUPAC name is 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one.

Molecular Properties

• Compound Name: 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
• PubChem CID: 161309418
• Molecular Formula: C119H99F15N20O10
• Molecular Weight: 2254.20 g/mol
• Exact Mass: 2252.76
• IUPAC Name: 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
• SMILES: Cc1cc(OC(F)(F)F)ccc1-n1nc(C(=O)N2CCC(N3C(=O)Cc4ccc(C)c(F)c43)CC2)cc1-c1cccnc1.Cc1ccc2c(c1)C1(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)OC(=O)N2.Cc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)c2cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n2)CC1.Cc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n2)CC1
• InChI: InChI=1S/C31H27F4N5O3.C30H25F4N5O2.C29H23F4N5O3.C29H24F3N5O2/c1-18-5-6-20-15-27(41)39(29(20)28(18)32)22-9-12-38(13-10-22)30(42)24-16-26(21-4-3-11-36-17-21)40(37-24)25-8-7-23(14-19(25)2)43-31(33,34)35;1-18-4-7-26-20(13-18)14-28(40)38(26)21-8-11-37(12-9-21)29(41)25-16-27(19-3-2-10-35-17-19)39(36-25)22-5-6-23(24(31)15-22)30(32,33)34;1-17-4-7-23-21(13-17)28(41-27(40)35-23)8-11-37(12-9-28)26(39)24-15-25(18-3-2-10-34-16-18)38(36-24)19-5-6-20(22(30)14-19)29(31,32)33;1-17-4-5-25-19(11-17)12-27(38)36(25)20-6-9-35(10-7-20)29(39)24-15-26(18-3-2-8-33-16-18)37(34-24)21-13-22(30)28(32)23(31)14-21/h3-8,11,14,16-17,22H,9-10,12-13,15H2,1-2H3;2-7,10,13,15-17,21H,8-9,11-12,14H2,1H3;2-7,10,13-16H,8-9,11-12H2,1H3,(H,35,40);2-5,8,11,13-16,20H,6-7,9-10,12H2,1H3
• InChIKey: VIRLHLITKXJPCM-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 312.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.20
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The IUPAC name of 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one (CID 161309418) is 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one.

What is the SMILES notation for 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The canonical SMILES for 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one is Cc1cc(OC(F)(F)F)ccc1-n1nc(C(=O)N2CCC(N3C(=O)Cc4ccc(C)c(F)c43)CC2)cc1-c1cccnc1.Cc1ccc2c(c1)C1(CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)OC(=O)N2.Cc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)c2cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n2)CC1.Cc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n2)CC1.

What is the InChIKey of 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

The InChIKey is VIRLHLITKXJPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F4N5O3.C30H25F4N5O2.C29H23F4N5O3.C29H24F3N5O2/c1-18-5-6-20-15-27(41)39(29(20)28(18)32)22-9-12-38(13-10-22)30(42)24-16-26(21-4-3-11-36-17-21)40(37-24)25-8-7-23(14-19(25)2)43-31(33,34)35;1-18-4-7-26-20(13-18)14-28(40)38(26)21-8-11-37(12-9-21)29(41)25-16-27(19-3-2-10-35-17-19)39(36-25)22-5-6-23(24(31)15-22)30(32,33)34;1-17-4-7-23-21(13-17)28(41-27(40)35-23)8-11-37(12-9-28)26(39)24-15-25(18-3-2-10-34-16-18)38(36-24)19-5-6-20(22(30)14-19)29(31,32)33;1-17-4-5-25-19(11-17)12-27(38)36(25)20-6-9-35(10-7-20)29(39)24-15-26(18-3-2-8-33-16-18)37(34-24)21-13-22(30)28(32)23(31)14-21/h3-8,11,14,16-17,22H,9-10,12-13,15H2,1-2H3;2-7,10,13,15-17,21H,8-9,11-12,14H2,1H3;2-7,10,13-16H,8-9,11-12H2,1H3,(H,35,40);2-5,8,11,13-16,20H,6-7,9-10,12H2,1H3.

What are the key properties of 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one?

7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one has a molecular weight of 2254.20 g/mol, XLogP of 22.33, 16 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-methyl-1-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1'-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-6-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-5-methyl-3H-indol-2-one;5-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 161309418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).