[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

C102H109ClF20N20O11S2 — CID 157145864

About [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 157145864) has the molecular formula C102H109ClF20N20O11S2 and a molecular weight of 2270.67 g/mol. Its IUPAC name is [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
• PubChem CID: 157145864
• Molecular Formula: C102H109ClF20N20O11S2
• Molecular Weight: 2270.67 g/mol
• Exact Mass: 2268.74
• IUPAC Name: [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
• SMILES: CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCN1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)ccc4C(F)(F)F)CC3)c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)c2C1
• InChI: InChI=1S/2C21H21F5N4O2.C21H23F5N4O.C20H22F4N4O3S.C19H22ClFN4O3S/c1-11(31)30-7-4-17-15(10-30)19(28-27-17)20(32)29-5-2-12(3-6-29)14-8-13(22)9-16(23)18(14)21(24,25)26;1-11(31)30-7-4-14-17(10-30)27-28-19(14)20(32)29-5-2-12(3-6-29)15-8-13(22)9-16(23)18(15)21(24,25)26;1-2-29-6-5-14-17(11-29)27-28-19(14)20(31)30-7-3-12(4-8-30)15-9-13(22)10-16(23)18(15)21(24,25)26;1-32(30,31)28-9-6-17-15(11-28)18(26-25-17)19(29)27-7-4-12(5-8-27)14-10-13(21)2-3-16(14)20(22,23)24;1-29(27,28)25-9-6-17-15(11-25)18(23-22-17)19(26)24-7-4-12(5-8-24)14-10-13(21)2-3-16(14)20/h2*8-9,12H,2-7,10H2,1H3,(H,27,28);9-10,12H,2-8,11H2,1H3,(H,27,28);2-3,10,12H,4-9,11H2,1H3,(H,25,26);2-3,10,12H,4-9,11H2,1H3,(H,22,23)
• InChIKey: AKRQZYLQJZKFEB-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 363.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.67
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (CID 157145864) is [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

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

The canonical SMILES for [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)c2C1.CC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CCN1CCc2c(C(=O)N3CCC(c4cc(F)cc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)ccc4C(F)(F)F)CC3)c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)c2C1.

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

The InChIKey is AKRQZYLQJZKFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21F5N4O2.C21H23F5N4O.C20H22F4N4O3S.C19H22ClFN4O3S/c1-11(31)30-7-4-17-15(10-30)19(28-27-17)20(32)29-5-2-12(3-6-29)14-8-13(22)9-16(23)18(14)21(24,25)26;1-11(31)30-7-4-14-17(10-30)27-28-19(14)20(32)29-5-2-12(3-6-29)15-8-13(22)9-16(23)18(15)21(24,25)26;1-2-29-6-5-14-17(11-29)27-28-19(14)20(31)30-7-3-12(4-8-30)15-9-13(22)10-16(23)18(15)21(24,25)26;1-32(30,31)28-9-6-17-15(11-28)18(26-25-17)19(29)27-7-4-12(5-8-27)14-10-13(21)2-3-16(14)20(22,23)24;1-29(27,28)25-9-6-17-15(11-25)18(23-22-17)19(26)24-7-4-12(5-8-24)14-10-13(21)2-3-16(14)20/h2*8-9,12H,2-7,10H2,1H3,(H,27,28);9-10,12H,2-8,11H2,1H3,(H,27,28);2-3,10,12H,4-9,11H2,1H3,(H,25,26);2-3,10,12H,4-9,11H2,1H3,(H,22,23).

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

[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 2270.67 g/mol, XLogP of 16.81, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 157145864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).