[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C124H145Cl5F8N24O11S2 — CID 162005140

About [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 162005140) has the molecular formula C124H145Cl5F8N24O11S2 and a molecular weight of 2541.06 g/mol. Its IUPAC name is [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 162005140
• Molecular Formula: C124H145Cl5F8N24O11S2
• Molecular Weight: 2541.06 g/mol
• Exact Mass: 2536.93
• IUPAC Name: [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.Cc1cc(C2CCN(C(=O)c3n[nH]c4c3CN(S(C)(=O)=O)CC4)CC2)cc(C(F)(F)F)c1.O=C(c1n[nH]c2c1CCN(C1CCC1)C2)N1CCC(c2cccc(F)c2Cl)CC1.O=C(c1n[nH]c2c1CN(C1COC1)CC2)N1CCC(c2cccc(F)c2Cl)CC1.O=C(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2Cl)CC1
• InChI: InChI=1S/2C22H26ClFN4O.C21H24ClFN4O2.C21H25F3N4O3S.C19H22ClFN4O3S.C19H22ClFN4O/c23-20-16(5-2-6-18(20)24)14-7-10-27(11-8-14)22(29)21-17-9-12-28(15-3-1-4-15)13-19(17)25-26-21;23-20-16(2-1-3-18(20)24)15-6-10-28(11-7-15)22(29)21-17-13-27(12-14-4-5-14)9-8-19(17)25-26-21;22-19-15(2-1-3-17(19)23)13-4-7-26(8-5-13)21(28)20-16-10-27(14-11-29-12-14)9-6-18(16)24-25-20;1-13-9-15(11-16(10-13)21(22,23)24)14-3-6-27(7-4-14)20(29)19-17-12-28(32(2,30)31)8-5-18(17)25-26-19;1-29(27,28)25-10-7-16-14(11-25)18(23-22-16)19(26)24-8-5-12(6-9-24)13-3-2-4-15(21)17(13)20;1-24-8-7-14-16(11-24)22-23-18(14)19(26)25-9-5-12(6-10-25)13-3-2-4-15(21)17(13)20/h2,5-6,14-15H,1,3-4,7-13H2,(H,25,26);1-3,14-15H,4-13H2,(H,25,26);1-3,13-14H,4-12H2,(H,24,25);9-11,14H,3-8,12H2,1-2H3,(H,25,26);2-4,12H,5-11H2,1H3,(H,22,23);2-4,12H,5-11H2,1H3,(H,22,23)
• InChIKey: YSSPZZXHLNJKQZ-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 390.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2541.06
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The IUPAC name of [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 162005140) is [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The canonical SMILES for [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)c2C1.Cc1cc(C2CCN(C(=O)c3n[nH]c4c3CN(S(C)(=O)=O)CC4)CC2)cc(C(F)(F)F)c1.O=C(c1n[nH]c2c1CCN(C1CCC1)C2)N1CCC(c2cccc(F)c2Cl)CC1.O=C(c1n[nH]c2c1CN(C1COC1)CC2)N1CCC(c2cccc(F)c2Cl)CC1.O=C(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2Cl)CC1.

What is the InChIKey of [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The InChIKey is YSSPZZXHLNJKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26ClFN4O.C21H24ClFN4O2.C21H25F3N4O3S.C19H22ClFN4O3S.C19H22ClFN4O/c23-20-16(5-2-6-18(20)24)14-7-10-27(11-8-14)22(29)21-17-9-12-28(15-3-1-4-15)13-19(17)25-26-21;23-20-16(2-1-3-18(20)24)15-6-10-28(11-7-15)22(29)21-17-13-27(12-14-4-5-14)9-8-19(17)25-26-21;22-19-15(2-1-3-17(19)23)13-4-7-26(8-5-13)21(28)20-16-10-27(14-11-29-12-14)9-6-18(16)24-25-20;1-13-9-15(11-16(10-13)21(22,23)24)14-3-6-27(7-4-14)20(29)19-17-12-28(32(2,30)31)8-5-18(17)25-26-19;1-29(27,28)25-10-7-16-14(11-25)18(23-22-16)19(26)24-8-5-12(6-9-24)13-3-2-4-15(21)17(13)20;1-24-8-7-14-16(11-24)22-23-18(14)19(26)25-9-5-12(6-10-25)13-3-2-4-15(21)17(13)20/h2,5-6,14-15H,1,3-4,7-13H2,(H,25,26);1-3,14-15H,4-13H2,(H,25,26);1-3,13-14H,4-12H2,(H,24,25);9-11,14H,3-8,12H2,1-2H3,(H,25,26);2-4,12H,5-11H2,1H3,(H,22,23);2-4,12H,5-11H2,1H3,(H,22,23).

What are the key properties of [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2541.06 g/mol, XLogP of 19.93, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-cyclobutyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-[5-(oxetan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 162005140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).