[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C147H171F21N24O13S3 — CID 158049145

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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158049145) has the molecular formula C147H171F21N24O13S3 and a molecular weight of 2977.30 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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 158049145
• Molecular Formula: C147H171F21N24O13S3
• Molecular Weight: 2977.30 g/mol
• Exact Mass: 2975.23
• 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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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)c2c1CCCN(S(C)(=O)=O)C2.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCN(S(C)(=O)=O)C2.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1COCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C23H29F3N4O3S.C23H29F3N4O2S.C22H27F3N4O3S.C20H22F3N3O2.2C20H22F3N3O.C19H20F3N3O/c1-3-30-20-9-6-12-29(34(2,32)33)15-18(20)21(27-30)22(31)28-13-10-16(11-14-28)17-7-4-5-8-19(17)23(24,25)26;1-4-30-20-15-29(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)16-5-2-1-4-14(16)13-7-9-26(10-8-13)19(27)18-15-12-28-11-3-6-17(15)24-25-18;2*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)15-6-2-1-4-13(15)12-8-10-25(11-9-12)18(26)17-14-5-3-7-16(14)23-24-17/h4-5,7-8,16H,3,6,9-15H2,1-2H3;5-8,16H,2,4,9-15H2,1,3H3;4-7,15H,3,8-14H2,1-2H3;1-2,4-5,13H,3,6-12H2,(H,24,25);2*1,3,5,7,13H,2,4,6,8-12H2,(H,24,25);1-2,4,6,12H,3,5,7-11H2,(H,23,24)
• InChIKey: FJGQEUPFKHDJJY-UHFFFAOYSA-N
• XLogP: 26.97
• TPSA: 414.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2977.30
LogP ≤ 5	26.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 158049145) 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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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)c2c1CCCN(S(C)(=O)=O)C2.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCN(S(C)(=O)=O)C2.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1COCCC2)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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The InChIKey is FJGQEUPFKHDJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O3S.C23H29F3N4O2S.C22H27F3N4O3S.C20H22F3N3O2.2C20H22F3N3O.C19H20F3N3O/c1-3-30-20-9-6-12-29(34(2,32)33)15-18(20)21(27-30)22(31)28-13-10-16(11-14-28)17-7-4-5-8-19(17)23(24,25)26;1-4-30-20-15-29(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)16-5-2-1-4-14(16)13-7-9-26(10-8-13)19(27)18-15-12-28-11-3-6-17(15)24-25-18;2*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)15-6-2-1-4-13(15)12-8-10-25(11-9-12)18(26)17-14-5-3-7-16(14)23-24-17/h4-5,7-8,16H,3,6,9-15H2,1-2H3;5-8,16H,2,4,9-15H2,1,3H3;4-7,15H,3,8-14H2,1-2H3;1-2,4-5,13H,3,6-12H2,(H,24,25);2*1,3,5,7,13H,2,4,6,8-12H2,(H,24,25);1-2,4,6,12H,3,5,7-11H2,(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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2977.30 g/mol, XLogP of 26.97, 20 rotatable bonds, 4 hydrogen bond donors, and 23 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;(1-ethyl-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 158049145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).