2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

C144H138F24N28O9 — CID 159904890

About 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone

2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (PubChem CID 159904890) has the molecular formula C144H138F24N28O9 and a molecular weight of 2860.83 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
• PubChem CID: 159904890
• Molecular Formula: C144H138F24N28O9
• Molecular Weight: 2860.83 g/mol
• Exact Mass: 2859.08
• IUPAC Name: 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone
• SMILES: CC(=O)c1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.CC(C)(C)C(=O)N1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccn2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nnc2c1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C23H27F3N4O2.C21H19F3N4O2.C20H16F6N4O.4C20H19F3N4O/c1-22(2,3)21(32)30-12-16-18(13-30)27-28-19(16)20(31)29-10-8-14(9-11-29)15-6-4-5-7-17(15)23(24,25)26;1-13(29)15-6-7-18-25-26-19(28(18)12-15)20(30)27-10-8-14(9-11-27)16-4-2-3-5-17(16)21(22,23)24;21-19(22,23)13-7-10-30-16(11-13)27-28-17(30)18(31)29-8-5-12(6-9-29)14-3-1-2-4-15(14)20(24,25)26;1-13-6-11-27-17(12-13)24-25-18(27)19(28)26-9-7-14(8-10-26)15-4-2-3-5-16(15)20(21,22)23;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h4-7,14H,8-13H2,1-3H3,(H,27,28);2-7,12,14H,8-11H2,1H3;1-4,7,10-12H,5-6,8-9H2;2-6,11-12,14H,7-10H2,1H3;3*2-7,12,14H,8-11H2,1H3
• InChIKey: NWLCNYMAQUAAOI-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 389.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.83
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The IUPAC name of 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone (CID 159904890) is 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone.

What is the SMILES notation for 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The canonical SMILES for 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is CC(=O)c1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.CC(C)(C)C(=O)N1Cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccn2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nnc2c1.O=C(c1nnc2cc(C(F)(F)F)ccn12)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

The InChIKey is NWLCNYMAQUAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2.C21H19F3N4O2.C20H16F6N4O.4C20H19F3N4O/c1-22(2,3)21(32)30-12-16-18(13-30)27-28-19(16)20(31)29-10-8-14(9-11-29)15-6-4-5-7-17(15)23(24,25)26;1-13(29)15-6-7-18-25-26-19(28(18)12-15)20(30)27-10-8-14(9-11-27)16-4-2-3-5-17(16)21(22,23)24;21-19(22,23)13-7-10-30-16(11-13)27-28-17(30)18(31)29-8-5-12(6-9-29)14-3-1-2-4-15(14)20(24,25)26;1-13-6-11-27-17(12-13)24-25-18(27)19(28)26-9-7-14(8-10-26)15-4-2-3-5-16(15)20(21,22)23;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h4-7,14H,8-13H2,1-3H3,(H,27,28);2-7,12,14H,8-11H2,1H3;1-4,7,10-12H,5-6,8-9H2;2-6,11-12,14H,7-10H2,1H3;3*2-7,12,14H,8-11H2,1H3.

What are the key properties of 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone?

2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone has a molecular weight of 2860.83 g/mol, XLogP of 29.40, 15 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]propan-1-one;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanone is sourced from PubChem (CID 159904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).