[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

C166H169Cl2FN32O16S8 — CID 160595142

IUPAC[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
SMILESCN(C)c1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1F)C2
InChIInChI=1S/C22H25N5O2S.C21H20ClN3O2S.3C21H22N4O2S.C20H19ClN4O2S.C20H19FN4O2S.C20H20N4O2S/c1-26(2)20-5-3-4-19(25-20)22(29)9-16-6-7-17(10-22)27(16)21(28)14-8-18(30-13-14)15-11-23-24-12-15;22-18-4-2-1-3-17(18)21(27)8-15-5-6-16(9-21)25(15)20(26)13-7-19(28-12-13)14-10-23-24-11-14;2*1-13-3-2-6-22-19(13)21(27)8-16-4-5-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-23-24-11-15;1-13-3-2-4-19(24-13)21(27)8-16-5-6-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-22-23-11-15;2*21-16-2-1-5-22-18(16)20(27)7-14-3-4-15(8-20)25(14)19(26)12-6-17(28-11-12)13-9-23-24-10-13;25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h3-5,8,11-13,16-17,29H,6-7,9-10H2,1-2H3,(H,23,24);1-4,7,10-12,15-16,27H,5-6,8-9H2,(H,23,24);2*2-3,6-7,10-12,16-17,27H,4-5,8-9H2,1H3,(H,23,24);2-4,7,10-12,16-17,27H,5-6,8-9H2,1H3,(H,22,23);2*1-2,5-6,9-11,14-15,27H,3-4,7-8H2,(H,23,24);1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23)
InChIKeyRDNJRKXOQRYQOB-UHFFFAOYSA-N
MW3214.83 g/mol
LogP28.55
Rot. Bonds25

About [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

[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 (PubChem CID 160595142) has the molecular formula C166H169Cl2FN32O16S8 and a molecular weight of 3214.83 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID160595142
Molecular FormulaC166H169Cl2FN32O16S8
Molecular Weight3214.83 g/mol
Exact Mass3211.05
IUPAC Name[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
SMILESCN(C)c1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1F)C2
InChIInChI=1S/C22H25N5O2S.C21H20ClN3O2S.3C21H22N4O2S.C20H19ClN4O2S.C20H19FN4O2S.C20H20N4O2S/c1-26(2)20-5-3-4-19(25-20)22(29)9-16-6-7-17(10-22)27(16)21(28)14-8-18(30-13-14)15-11-23-24-12-15;22-18-4-2-1-3-17(18)21(27)8-15-5-6-16(9-21)25(15)20(26)13-7-19(28-12-13)14-10-23-24-11-14;2*1-13-3-2-6-22-19(13)21(27)8-16-4-5-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-23-24-11-15;1-13-3-2-4-19(24-13)21(27)8-16-5-6-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-22-23-11-15;2*21-16-2-1-5-22-18(16)20(27)7-14-3-4-15(8-20)25(14)19(26)12-6-17(28-11-12)13-9-23-24-10-13;25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h3-5,8,11-13,16-17,29H,6-7,9-10H2,1-2H3,(H,23,24);1-4,7,10-12,15-16,27H,5-6,8-9H2,(H,23,24);2*2-3,6-7,10-12,16-17,27H,4-5,8-9H2,1H3,(H,23,24);2-4,7,10-12,16-17,27H,5-6,8-9H2,1H3,(H,22,23);2*1-2,5-6,9-11,14-15,27H,3-4,7-8H2,(H,23,24);1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23)
InChIKeyRDNJRKXOQRYQOB-UHFFFAOYSA-N
XLogP28.55
TPSA647.23 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003214.83
LogP ≤ 528.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN(C)c1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccc(C2(O)CC3CCC(C2)N3C(=O)c2csc(-c3cn[nH]c3)c2)n1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.Cc1cccnc1C1(O)CC2CCC(C1)N2C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ccccn1)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1Cl)C2.O=C(c1csc(-c2cn[nH]c2)c1)N1C2CCC1CC(O)(c1ncccc1F)C2.
What is the InChIKey of [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?
The InChIKey is RDNJRKXOQRYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S.C21H20ClN3O2S.3C21H22N4O2S.C20H19ClN4O2S.C20H19FN4O2S.C20H20N4O2S/c1-26(2)20-5-3-4-19(25-20)22(29)9-16-6-7-17(10-22)27(16)21(28)14-8-18(30-13-14)15-11-23-24-12-15;22-18-4-2-1-3-17(18)21(27)8-15-5-6-16(9-21)25(15)20(26)13-7-19(28-12-13)14-10-23-24-11-14;2*1-13-3-2-6-22-19(13)21(27)8-16-4-5-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-23-24-11-15;1-13-3-2-4-19(24-13)21(27)8-16-5-6-17(9-21)25(16)20(26)14-7-18(28-12-14)15-10-22-23-11-15;2*21-16-2-1-5-22-18(16)20(27)7-14-3-4-15(8-20)25(14)19(26)12-6-17(28-11-12)13-9-23-24-10-13;25-19(13-7-17(27-12-13)14-10-22-23-11-14)24-15-4-5-16(24)9-20(26,8-15)18-3-1-2-6-21-18/h3-5,8,11-13,16-17,29H,6-7,9-10H2,1-2H3,(H,23,24);1-4,7,10-12,15-16,27H,5-6,8-9H2,(H,23,24);2*2-3,6-7,10-12,16-17,27H,4-5,8-9H2,1H3,(H,23,24);2-4,7,10-12,16-17,27H,5-6,8-9H2,1H3,(H,22,23);2*1-2,5-6,9-11,14-15,27H,3-4,7-8H2,(H,23,24);1-3,6-7,10-12,15-16,26H,4-5,8-9H2,(H,22,23).
What are the key properties of [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?
[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 has a molecular weight of 3214.83 g/mol, XLogP of 28.55, 25 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 160595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).