1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

C84H87F14N15O9 — CID 159647050

About 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone

1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 159647050) has the molecular formula C84H87F14N15O9 and a molecular weight of 1716.69 g/mol. Its IUPAC name is 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

• Compound Name: 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
• PubChem CID: 159647050
• Molecular Formula: C84H87F14N15O9
• Molecular Weight: 1716.69 g/mol
• Exact Mass: 1715.66
• IUPAC Name: 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone
• SMILES: CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)cc4C(F)(F)F)CC3)n[nH]c2C1.Cn1nc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c2ccccc21
• InChI: InChI=1S/2C21H22F4N4O2.C21H23F3N4O3.C21H20F3N3O2/c1-12(30)29-9-6-16-18(11-29)26-27-19(16)20(31)28-7-4-13(5-8-28)15-3-2-14(22)10-17(15)21(23,24)25;1-13(30)29-9-6-17-14(12-29)18(27-26-17)19(31)28-10-7-20(22,8-11-28)15-4-2-3-5-16(15)21(23,24)25;1-13(29)28-9-6-17-14(12-28)18(26-25-17)19(30)27-10-7-20(31,8-11-27)15-4-2-3-5-16(15)21(22,23)24;1-26-17-9-5-2-6-14(17)18(25-26)19(28)27-12-10-20(29,11-13-27)15-7-3-4-8-16(15)21(22,23)24/h2-3,10,13H,4-9,11H2,1H3,(H,26,27);2-5H,6-12H2,1H3,(H,26,27);2-5,31H,6-12H2,1H3,(H,25,26);2-9,29H,10-13H2,1H3
• InChIKey: MRBWSZADGBGSQD-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 286.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.69
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?

The IUPAC name of 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 159647050) is 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone.

What is the SMILES notation for 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?

The canonical SMILES for 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(F)(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)cc4C(F)(F)F)CC3)n[nH]c2C1.Cn1nc(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)c2ccccc21.

What is the InChIKey of 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?

The InChIKey is MRBWSZADGBGSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F4N4O2.C21H23F3N4O3.C21H20F3N3O2/c1-12(30)29-9-6-16-18(11-29)26-27-19(16)20(31)28-7-4-13(5-8-28)15-3-2-14(22)10-17(15)21(23,24)25;1-13(30)29-9-6-17-14(12-29)18(27-26-17)19(31)28-10-7-20(22,8-11-28)15-4-2-3-5-16(15)21(23,24)25;1-13(29)28-9-6-17-14(12-28)18(26-25-17)19(30)27-10-7-20(31,8-11-27)15-4-2-3-5-16(15)21(22,23)24;1-26-17-9-5-2-6-14(17)18(25-26)19(28)27-12-10-20(29,11-13-27)15-7-3-4-8-16(15)21(22,23)24/h2-3,10,13H,4-9,11H2,1H3,(H,26,27);2-5H,6-12H2,1H3,(H,26,27);2-5,31H,6-12H2,1H3,(H,25,26);2-9,29H,10-13H2,1H3.

What are the key properties of 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone?

1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 1716.69 g/mol, XLogP of 13.10, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 159647050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).