bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C122H133Cl2F21N20O6 — CID 157196020

About bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 157196020) has the molecular formula C122H133Cl2F21N20O6 and a molecular weight of 2445.40 g/mol. Its IUPAC name is bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

• Compound Name: bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
• PubChem CID: 157196020
• Molecular Formula: C122H133Cl2F21N20O6
• Molecular Weight: 2445.40 g/mol
• Exact Mass: 2442.98
• IUPAC Name: bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
• SMILES: CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
• InChI: InChI=1S/2C21H26ClFN4O.C21H23F4N3O.2C20H20F5N3O.C19H18F5N3O/c2*1-2-9-26-10-8-18-16(13-26)20(25-24-18)21(28)27-11-6-14(7-12-27)15-4-3-5-17(23)19(15)22;1-12-10-15(18(16(22)11-12)21(23,24)25)13-6-8-28(9-7-13)20(29)19-14-4-2-3-5-17(14)26-27-19;2*21-14-6-5-12(16(17(14)22)20(23,24)25)11-7-9-28(10-8-11)19(29)18-13-3-1-2-4-15(13)26-27-18;20-13-5-4-11(15(16(13)21)19(22,23)24)10-6-8-27(9-7-10)18(28)17-12-2-1-3-14(12)25-26-17/h2*3-5,14H,2,6-13H2,1H3,(H,24,25);10-11,13H,2-9H2,1H3,(H,26,27);2*5-6,11H,1-4,7-10H2,(H,26,27);4-5,10H,1-3,6-9H2,(H,25,26)
• InChIKey: AQGKKXWZXRPZOA-UHFFFAOYSA-N
• XLogP: 26.18
• TPSA: 300.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.40
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?

The IUPAC name of bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 157196020) is bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

What is the SMILES notation for bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?

The canonical SMILES for bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.CCCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.

What is the InChIKey of bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?

The InChIKey is AQGKKXWZXRPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26ClFN4O.C21H23F4N3O.2C20H20F5N3O.C19H18F5N3O/c2*1-2-9-26-10-8-18-16(13-26)20(25-24-18)21(28)27-11-6-14(7-12-27)15-4-3-5-17(23)19(15)22;1-12-10-15(18(16(22)11-12)21(23,24)25)13-6-8-28(9-7-13)20(29)19-14-4-2-3-5-17(14)26-27-19;2*21-14-6-5-12(16(17(14)22)20(23,24)25)11-7-9-28(10-8-11)19(29)18-13-3-1-2-4-15(13)26-27-18;20-13-5-4-11(15(16(13)21)19(22,23)24)10-6-8-27(9-7-10)18(28)17-12-2-1-3-14(12)25-26-17/h2*3-5,14H,2,6-13H2,1H3,(H,24,25);10-11,13H,2-9H2,1H3,(H,26,27);2*5-6,11H,1-4,7-10H2,(H,26,27);4-5,10H,1-3,6-9H2,(H,25,26).

What are the key properties of bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?

bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 2445.40 g/mol, XLogP of 26.18, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone);[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 157196020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).