[1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C84H98F12N14O8S2 — CID 159280201

About [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 159280201) has the molecular formula C84H98F12N14O8S2 and a molecular weight of 1723.91 g/mol. Its IUPAC name is [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 159280201
• Molecular Formula: C84H98F12N14O8S2
• Molecular Weight: 1723.91 g/mol
• Exact Mass: 1722.69
• IUPAC Name: [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: C=S(C)(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(CC)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCN(S(C)(=O)=O)C2.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1COCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C23H29F3N4O2S.C22H27F3N4O3S.C20H22F3N3O.C19H20F3N3O2/c1-4-30-20-15-29(33(2,3)32)14-11-18(20)21(27-30)22(31)28-12-9-16(10-13-28)17-7-5-6-8-19(17)23(24,25)26;1-3-29-19-10-13-28(33(2,31)32)14-17(19)20(26-29)21(30)27-11-8-15(9-12-27)16-6-4-5-7-18(16)22(23,24)25;21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18;20-19(21,22)15-4-2-1-3-13(15)12-5-8-25(9-6-12)18(26)17-14-11-27-10-7-16(14)23-24-17/h5-8,16H,2,4,9-15H2,1,3H3;4-7,15H,3,8-14H2,1-2H3;1,3,5,7,13H,2,4,6,8-12H2,(H,24,25);1-4,12H,5-11H2,(H,23,24)
• InChIKey: KYUVWJDAAXJNCV-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 241.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1723.91
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The IUPAC name of [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 159280201) is [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

What is the SMILES notation for [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The canonical SMILES for [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is C=S(C)(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(CC)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCN(S(C)(=O)=O)C2.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1COCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The InChIKey is KYUVWJDAAXJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O2S.C22H27F3N4O3S.C20H22F3N3O.C19H20F3N3O2/c1-4-30-20-15-29(33(2,3)32)14-11-18(20)21(27-30)22(31)28-12-9-16(10-13-28)17-7-5-6-8-19(17)23(24,25)26;1-3-29-19-10-13-28(33(2,31)32)14-17(19)20(26-29)21(30)27-11-8-15(9-12-27)16-6-4-5-7-18(16)22(23,24)25;21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18;20-19(21,22)15-4-2-1-3-13(15)12-5-8-25(9-6-12)18(26)17-14-11-27-10-7-16(14)23-24-17/h5-8,16H,2,4,9-15H2,1,3H3;4-7,15H,3,8-14H2,1-2H3;1,3,5,7,13H,2,4,6,8-12H2,(H,24,25);1-4,12H,5-11H2,(H,23,24).

What are the key properties of [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

[1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 1723.91 g/mol, XLogP of 14.67, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [1-ethyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 159280201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).