[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C132H131Cl4FN26O14S7 — CID 159699446

IUPAC[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESCCc1ccc(Cl)c(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)n1.Cc1cccnc1C1(O)CCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1.Cc1cnc(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)c(Cl)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O2S.C19H19ClN4O2S.C19H18ClN3O2S.C19H18FN3O2S.C19H20N4O2S.C18H17ClN4O2S.C18H18N4O2S/c1-2-15-3-4-16(21)18(24-15)20(27)5-7-25(8-6-20)19(26)13-9-17(28-12-13)14-10-22-23-11-14;1-12-6-15(20)17(21-8-12)19(26)2-4-24(5-3-19)18(25)13-7-16(27-11-13)14-9-22-23-10-14;2*20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14;1-13-3-2-6-20-17(13)19(25)4-7-23(8-5-19)18(24)14-9-16(26-12-14)15-10-21-22-11-15;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;23-17(13-9-15(25-12-13)14-10-20-21-11-14)22-7-4-18(24,5-8-22)16-3-1-2-6-19-16/h3-4,9-12,27H,2,5-8H2,1H3,(H,22,23);6-11,26H,2-5H2,1H3,(H,22,23);2*1-4,9-12,25H,5-8H2,(H,21,22);2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,21,22);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1-3,6,9-12,24H,4-5,7-8H2,(H,20,21)
InChIKeyMXKXWYRBIYXFNU-UHFFFAOYSA-N
MW2690.95 g/mol
LogP23.74
Rot. Bonds22

About [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 159699446) has the molecular formula C132H131Cl4FN26O14S7 and a molecular weight of 2690.95 g/mol. Its IUPAC name is [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID159699446
Molecular FormulaC132H131Cl4FN26O14S7
Molecular Weight2690.95 g/mol
Exact Mass2686.71
IUPAC Name[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESCCc1ccc(Cl)c(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)n1.Cc1cccnc1C1(O)CCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1.Cc1cnc(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)c(Cl)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O2S.C19H19ClN4O2S.C19H18ClN3O2S.C19H18FN3O2S.C19H20N4O2S.C18H17ClN4O2S.C18H18N4O2S/c1-2-15-3-4-16(21)18(24-15)20(27)5-7-25(8-6-20)19(26)13-9-17(28-12-13)14-10-22-23-11-14;1-12-6-15(20)17(21-8-12)19(26)2-4-24(5-3-19)18(25)13-7-16(27-11-13)14-9-22-23-10-14;2*20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14;1-13-3-2-6-20-17(13)19(25)4-7-23(8-5-19)18(24)14-9-16(26-12-14)15-10-21-22-11-15;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;23-17(13-9-15(25-12-13)14-10-20-21-11-14)22-7-4-18(24,5-8-22)16-3-1-2-6-19-16/h3-4,9-12,27H,2,5-8H2,1H3,(H,22,23);6-11,26H,2-5H2,1H3,(H,22,23);2*1-4,9-12,25H,5-8H2,(H,21,22);2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,21,22);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1-3,6,9-12,24H,4-5,7-8H2,(H,20,21)
InChIKeyMXKXWYRBIYXFNU-UHFFFAOYSA-N
XLogP23.74
TPSA548.99 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002690.95
LogP ≤ 523.74
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Analyze [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-1-ium-1-ylpiperidin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159733326
[5-[5-[chloro(difluoro)methyl]-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;N-ethyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-hydroxy-4-phenylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-4-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-1-ium-1-ylpiperidin-1-yl)methanone;[5-[5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone
CID 160164928
[3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-ethoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis((3-fluoro-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-methoxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-methoxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 158954761
[3-(3-chloro-2-pyridinyl)-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-(3-chloro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 159581530
[3-(2-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-(3-chloro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-[6-(dimethylamino)-2-pyridinyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[3-(3-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;bis([3-hydroxy-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);[3-hydroxy-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-hydroxy-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-8-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 160595142
[4-(3-chloro-2-pyridinyl)-4-fluoropiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-fluoro-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 162135160

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 159699446) is [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is CCc1ccc(Cl)c(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)n1.Cc1cccnc1C1(O)CCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1.Cc1cnc(C2(O)CCN(C(=O)c3csc(-c4cn[nH]c4)c3)CC2)c(Cl)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2Cl)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccc2F)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccccn2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ncccc2Cl)CC1.
What is the InChIKey of [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is MXKXWYRBIYXFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S.C19H19ClN4O2S.C19H18ClN3O2S.C19H18FN3O2S.C19H20N4O2S.C18H17ClN4O2S.C18H18N4O2S/c1-2-15-3-4-16(21)18(24-15)20(27)5-7-25(8-6-20)19(26)13-9-17(28-12-13)14-10-22-23-11-14;1-12-6-15(20)17(21-8-12)19(26)2-4-24(5-3-19)18(25)13-7-16(27-11-13)14-9-22-23-10-14;2*20-16-4-2-1-3-15(16)19(25)5-7-23(8-6-19)18(24)13-9-17(26-12-13)14-10-21-22-11-14;1-13-3-2-6-20-17(13)19(25)4-7-23(8-5-19)18(24)14-9-16(26-12-14)15-10-21-22-11-15;19-14-2-1-5-20-16(14)18(25)3-6-23(7-4-18)17(24)12-8-15(26-11-12)13-9-21-22-10-13;23-17(13-9-15(25-12-13)14-10-20-21-11-14)22-7-4-18(24,5-8-22)16-3-1-2-6-19-16/h3-4,9-12,27H,2,5-8H2,1H3,(H,22,23);6-11,26H,2-5H2,1H3,(H,22,23);2*1-4,9-12,25H,5-8H2,(H,21,22);2-3,6,9-12,25H,4-5,7-8H2,1H3,(H,21,22);1-2,5,8-11,25H,3-4,6-7H2,(H,21,22);1-3,6,9-12,24H,4-5,7-8H2,(H,20,21).
What are the key properties of [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 2690.95 g/mol, XLogP of 23.74, 22 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-6-ethyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-5-methyl-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(3-chloro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 159699446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).