8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate

C205H272Cl9N13O19S3 — CID 161236456

IUPAC8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate
SMILESCC(C)(CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2occc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1)C(=O)O.CCOC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C25H35ClN2O2.C25H34ClNO3.C25H34ClNO2S.C24H33ClN2O2.C23H31ClN2O2.C23H30ClNO3.C23H30ClNO2S.C22H29ClN2O2.C15H16ClNOS/c1-4-30-24(29)25(2,3)15-9-5-6-12-23(20-10-7-8-11-21(20)26)28-17-14-22-19(18-28)13-16-27-22;2*1-4-29-24(28)25(2,3)15-9-5-6-12-22(20-10-7-8-11-21(20)26)27-16-13-23-19(18-27)14-17-30-23;1-4-29-23(28)24(2,3)14-8-7-11-22(19-9-5-6-10-20(19)25)27-16-13-21-18(17-27)12-15-26-21;1-23(2,22(27)28)13-7-3-4-10-21(18-8-5-6-9-19(18)24)26-15-12-20-17(16-26)11-14-25-20;2*1-23(2,22(26)27)13-7-3-4-10-20(18-8-5-6-9-19(18)24)25-14-11-21-17(16-25)12-15-28-21;1-22(2,21(26)27)12-6-5-9-20(17-7-3-4-8-18(17)23)25-14-11-19-16(15-25)10-13-24-19;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15/h7-8,10-11,13,16,23,27H,4-6,9,12,14-15,17-18H2,1-3H3;2*7-8,10-11,14,17,22H,4-6,9,12-13,15-16,18H2,1-3H3;5-6,9-10,12,15,22,26H,4,7-8,11,13-14,16-17H2,1-3H3;5-6,8-9,11,14,21,25H,3-4,7,10,12-13,15-16H2,1-2H3,(H,27,28);2*5-6,8-9,12,15,20H,3-4,7,10-11,13-14,16H2,1-2H3,(H,26,27);3-4,7-8,10,13,20,24H,5-6,9,11-12,14-15H2,1-2H3,(H,26,27);1-4,6,8,14,18H,5,7,9-10H2
InChIKeyUZKXJGHSSVWQHY-UHFFFAOYSA-N
MW3637.78 g/mol
LogP53.25
Rot. Bonds77

About 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate

8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate (PubChem CID 161236456) has the molecular formula C205H272Cl9N13O19S3 and a molecular weight of 3637.78 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate.

Molecular Properties

Compound Name8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate
PubChem CID161236456
Molecular FormulaC205H272Cl9N13O19S3
Molecular Weight3637.78 g/mol
Exact Mass3630.71
IUPAC Name8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate
SMILESCC(C)(CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2occc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1)C(=O)O.CCOC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C25H35ClN2O2.C25H34ClNO3.C25H34ClNO2S.C24H33ClN2O2.C23H31ClN2O2.C23H30ClNO3.C23H30ClNO2S.C22H29ClN2O2.C15H16ClNOS/c1-4-30-24(29)25(2,3)15-9-5-6-12-23(20-10-7-8-11-21(20)26)28-17-14-22-19(18-28)13-16-27-22;2*1-4-29-24(28)25(2,3)15-9-5-6-12-22(20-10-7-8-11-21(20)26)27-16-13-23-19(18-27)14-17-30-23;1-4-29-23(28)24(2,3)14-8-7-11-22(19-9-5-6-10-20(19)25)27-16-13-21-18(17-27)12-15-26-21;1-23(2,22(27)28)13-7-3-4-10-21(18-8-5-6-9-19(18)24)26-15-12-20-17(16-26)11-14-25-20;2*1-23(2,22(26)27)13-7-3-4-10-20(18-8-5-6-9-19(18)24)25-14-11-21-17(16-25)12-15-28-21;1-22(2,21(26)27)12-6-5-9-20(17-7-3-4-8-18(17)23)25-14-11-19-16(15-25)10-13-24-19;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15/h7-8,10-11,13,16,23,27H,4-6,9,12,14-15,17-18H2,1-3H3;2*7-8,10-11,14,17,22H,4-6,9,12-13,15-16,18H2,1-3H3;5-6,9-10,12,15,22,26H,4,7-8,11,13-14,16-17H2,1-3H3;5-6,8-9,11,14,21,25H,3-4,7,10,12-13,15-16H2,1-2H3,(H,27,28);2*5-6,8-9,12,15,20H,3-4,7,10-11,13-14,16H2,1-2H3,(H,26,27);3-4,7-8,10,13,20,24H,5-6,9,11-12,14-15H2,1-2H3,(H,26,27);1-4,6,8,14,18H,5,7,9-10H2
InChIKeyUZKXJGHSSVWQHY-UHFFFAOYSA-N
XLogP53.25
TPSA393.23 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds77
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003637.78
LogP ≤ 553.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate?
The IUPAC name of 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate (CID 161236456) is 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate.
What is the SMILES notation for 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate?
The canonical SMILES for 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate is CC(C)(CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2occc2C1)C(=O)O.CC(C)(CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1)C(=O)O.CCOC(=O)C(C)(C)CCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2[nH]ccc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2occc2C1.CCOC(=O)C(C)(C)CCCCCC(c1ccccc1Cl)N1CCc2sccc2C1.OCC(c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate?
The InChIKey is UZKXJGHSSVWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O2.C25H34ClNO3.C25H34ClNO2S.C24H33ClN2O2.C23H31ClN2O2.C23H30ClNO3.C23H30ClNO2S.C22H29ClN2O2.C15H16ClNOS/c1-4-30-24(29)25(2,3)15-9-5-6-12-23(20-10-7-8-11-21(20)26)28-17-14-22-19(18-28)13-16-27-22;2*1-4-29-24(28)25(2,3)15-9-5-6-12-22(20-10-7-8-11-21(20)26)27-16-13-23-19(18-27)14-17-30-23;1-4-29-23(28)24(2,3)14-8-7-11-22(19-9-5-6-10-20(19)25)27-16-13-21-18(17-27)12-15-26-21;1-23(2,22(27)28)13-7-3-4-10-21(18-8-5-6-9-19(18)24)26-15-12-20-17(16-26)11-14-25-20;2*1-23(2,22(26)27)13-7-3-4-10-20(18-8-5-6-9-19(18)24)25-14-11-21-17(16-25)12-15-28-21;1-22(2,21(26)27)12-6-5-9-20(17-7-3-4-8-18(17)23)25-14-11-19-16(15-25)10-13-24-19;16-13-4-2-1-3-12(13)14(10-18)17-7-5-15-11(9-17)6-8-19-15/h7-8,10-11,13,16,23,27H,4-6,9,12,14-15,17-18H2,1-3H3;2*7-8,10-11,14,17,22H,4-6,9,12-13,15-16,18H2,1-3H3;5-6,9-10,12,15,22,26H,4,7-8,11,13-14,16-17H2,1-3H3;5-6,8-9,11,14,21,25H,3-4,7,10,12-13,15-16H2,1-2H3,(H,27,28);2*5-6,8-9,12,15,20H,3-4,7,10-11,13-14,16H2,1-2H3,(H,26,27);3-4,7-8,10,13,20,24H,5-6,9,11-12,14-15H2,1-2H3,(H,26,27);1-4,6,8,14,18H,5,7,9-10H2.
What are the key properties of 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate?
8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate has a molecular weight of 3637.78 g/mol, XLogP of 53.25, 77 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid;2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol;7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoic acid;8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoic acid;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoate;ethyl 7-(2-chlorophenyl)-2,2-dimethyl-7-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)heptanoate;ethyl 8-(2-chlorophenyl)-2,2-dimethyl-8-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)octanoate is sourced from PubChem (CID 161236456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).