1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

C131H153F18N21O7 — CID 159096142

About 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (PubChem CID 159096142) has the molecular formula C131H153F18N21O7 and a molecular weight of 2475.77 g/mol. Its IUPAC name is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

Molecular Properties

• Compound Name: 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• PubChem CID: 159096142
• Molecular Formula: C131H153F18N21O7
• Molecular Weight: 2475.77 g/mol
• Exact Mass: 2474.20
• IUPAC Name: 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• SMILES: C=C(CNC)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCCC2
• InChI: InChI=1S/C24H30F3N5O.C23H27F3N4O2.C22H26F3N3O.2C21H24F3N3O.C20H22F3N3O/c1-16(14-28-2)32-11-5-8-21-19(15-32)22(30-29-21)23(33)31-12-9-17(10-13-31)18-6-3-4-7-20(18)24(25,26)27;1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-27-19-10-4-2-3-8-17(19)20(26-27)21(29)28-13-11-15(12-14-28)16-7-5-6-9-18(16)22(23,24)25;2*1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-25-17-8-4-6-15(17)18(24-25)19(27)26-11-9-13(10-12-26)14-5-2-3-7-16(14)20(21,22)23/h3-4,6-7,17,28H,1,5,8-15H2,2H3,(H,29,30);4-7,16H,3,8-14H2,1-2H3;5-7,9,15H,2-4,8,10-14H2,1H3;2*2,4,6,8,14H,3,5,7,9-13H2,1H3;2-3,5,7,13H,4,6,8-12H2,1H3
• InChIKey: KCRPAPMQEXDQQD-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 275.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2475.77
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (CID 159096142) is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

What is the SMILES notation for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The canonical SMILES for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is C=C(CNC)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCCC2.

What is the InChIKey of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The InChIKey is KCRPAPMQEXDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O.C23H27F3N4O2.C22H26F3N3O.2C21H24F3N3O.C20H22F3N3O/c1-16(14-28-2)32-11-5-8-21-19(15-32)22(30-29-21)23(33)31-12-9-17(10-13-31)18-6-3-4-7-20(18)24(25,26)27;1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-27-19-10-4-2-3-8-17(19)20(26-27)21(29)28-13-11-15(12-14-28)16-7-5-6-9-18(16)22(23,24)25;2*1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-25-17-8-4-6-15(17)18(24-25)19(27)26-11-9-13(10-12-26)14-5-2-3-7-16(14)20(21,22)23/h3-4,6-7,17,28H,1,5,8-15H2,2H3,(H,29,30);4-7,16H,3,8-14H2,1-2H3;5-7,9,15H,2-4,8,10-14H2,1H3;2*2,4,6,8,14H,3,5,7,9-13H2,1H3;2-3,5,7,13H,4,6,8-12H2,1H3.

What are the key properties of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) has a molecular weight of 2475.77 g/mol, XLogP of 25.13, 16 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;[5-[3-(methylamino)prop-1-en-2-yl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is sourced from PubChem (CID 159096142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).