4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate

C258H290Cl6N22O37 — CID 159182940

IUPAC4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate
SMILESCCCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.CCOC(=O)C1CCC(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)CC1.CCOc1cc2c(cc1OC)C(c1ccc(-c3nnn(CC)n3)cc1)=NC1CCCCC21.COC(=O)C1CCC(C#N)(c2ccc(OC)c3c2CC2(CCCC2)O3)CC1.COCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.COc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1cc4ccccc4[nH]1)C(=O)N3CC2.COc1ccc(-c2ccc(-c3ccccn3)o2)cc1OC1CCCC1.COc1ccc(C(Cc2ccncc2)OCc2ccccc2)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)c2c1OC1(CCOCC1)C2.Cc1cn(CC2CCCCC2)c2cc(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc12.Cc1noc2c(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)O)cc3)cccc12
InChIInChI=1S/C27H22N4O3.C26H29NO3.C25H29N5O2.C25H35NO4.C24H23N3O4.C23H29Cl2NO3.C22H23Cl2N3O2.C22H27Cl2NO4.C22H27NO4.C21H25NO5.C21H21NO3/c1-34-19-13-18-11-12-31-24(18)20(15-19)23(16-7-3-2-4-8-16)29-25(27(31)33)30-26(32)22-14-17-9-5-6-10-21(17)28-22;1-28-24-12-11-22(18-26(24)30-23-9-5-6-10-23)25(17-20-13-15-27-16-14-20)29-19-21-7-3-2-4-8-21;1-4-30-28-25(27-29-30)17-12-10-16(11-13-17)24-20-15-22(31-3)23(32-5-2)14-19(20)18-8-6-7-9-21(18)26-24;1-4-29-23-14-19-18-8-6-7-9-21(18)26-24(20(19)15-22(23)28-3)16-10-12-17(13-11-16)25(27)30-5-2;1-15-18-6-4-8-20(21(18)31-27-15)30-23-19(7-5-13-25-23)22(28)26-14-16-9-11-17(12-10-16)24(2,3)29;1-3-4-11-28-22(13-18-19(24)14-26-15-20(18)25)16-9-10-21(27-2)23(12-16)29-17-7-5-6-8-17;1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24;1-26-9-10-28-21(12-17-18(23)13-25-14-19(17)24)15-7-8-20(27-2)22(11-15)29-16-5-3-4-6-16;1-25-18-6-5-17(16-13-22(27-19(16)18)9-3-4-10-22)21(14-23)11-7-15(8-12-21)20(24)26-2;1-25-17-3-2-16(20(13-22)6-4-14(5-7-20)19(23)24)15-12-21(27-18(15)17)8-10-26-11-9-21;1-23-20-10-9-15(14-21(20)24-16-6-2-3-7-16)18-11-12-19(25-18)17-8-4-5-13-22-17/h2-10,13-15,25,28H,11-12H2,1H3,(H,30,32);2-4,7-8,11-16,18,23,25H,5-6,9-10,17,19H2,1H3;10-15,18,21H,4-9H2,1-3H3;14-18,21H,4-13H2,1-3H3;4-13,29H,14H2,1-3H3,(H,26,28);9-10,12,14-15,17,22H,3-8,11,13H2,1-2H3;7-10,12-13,15,29H,2-6,11H2,1H3;7-8,11,13-14,16,21H,3-6,9-10,12H2,1-2H3;5-6,15H,3-4,7-13H2,1-2H3;2-3,14H,4-12H2,1H3,(H,23,24);4-5,8-14,16H,2-3,6-7H2,1H3
InChIKeyXIXILJSTBCPMCS-UHFFFAOYSA-N
MW4503.99 g/mol
LogP54.72
Rot. Bonds65

About 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate

4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate (PubChem CID 159182940) has the molecular formula C258H290Cl6N22O37 and a molecular weight of 4503.99 g/mol. Its IUPAC name is 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate
PubChem CID159182940
Molecular FormulaC258H290Cl6N22O37
Molecular Weight4503.99 g/mol
Exact Mass4497.96
IUPAC Name4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate
SMILESCCCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.CCOC(=O)C1CCC(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)CC1.CCOc1cc2c(cc1OC)C(c1ccc(-c3nnn(CC)n3)cc1)=NC1CCCCC21.COC(=O)C1CCC(C#N)(c2ccc(OC)c3c2CC2(CCCC2)O3)CC1.COCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.COc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1cc4ccccc4[nH]1)C(=O)N3CC2.COc1ccc(-c2ccc(-c3ccccn3)o2)cc1OC1CCCC1.COc1ccc(C(Cc2ccncc2)OCc2ccccc2)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)c2c1OC1(CCOCC1)C2.Cc1cn(CC2CCCCC2)c2cc(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc12.Cc1noc2c(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)O)cc3)cccc12
InChIInChI=1S/C27H22N4O3.C26H29NO3.C25H29N5O2.C25H35NO4.C24H23N3O4.C23H29Cl2NO3.C22H23Cl2N3O2.C22H27Cl2NO4.C22H27NO4.C21H25NO5.C21H21NO3/c1-34-19-13-18-11-12-31-24(18)20(15-19)23(16-7-3-2-4-8-16)29-25(27(31)33)30-26(32)22-14-17-9-5-6-10-21(17)28-22;1-28-24-12-11-22(18-26(24)30-23-9-5-6-10-23)25(17-20-13-15-27-16-14-20)29-19-21-7-3-2-4-8-21;1-4-30-28-25(27-29-30)17-12-10-16(11-13-17)24-20-15-22(31-3)23(32-5-2)14-19(20)18-8-6-7-9-21(18)26-24;1-4-29-23-14-19-18-8-6-7-9-21(18)26-24(20(19)15-22(23)28-3)16-10-12-17(13-11-16)25(27)30-5-2;1-15-18-6-4-8-20(21(18)31-27-15)30-23-19(7-5-13-25-23)22(28)26-14-16-9-11-17(12-10-16)24(2,3)29;1-3-4-11-28-22(13-18-19(24)14-26-15-20(18)25)16-9-10-21(27-2)23(12-16)29-17-7-5-6-8-17;1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24;1-26-9-10-28-21(12-17-18(23)13-25-14-19(17)24)15-7-8-20(27-2)22(11-15)29-16-5-3-4-6-16;1-25-18-6-5-17(16-13-22(27-19(16)18)9-3-4-10-22)21(14-23)11-7-15(8-12-21)20(24)26-2;1-25-17-3-2-16(20(13-22)6-4-14(5-7-20)19(23)24)15-12-21(27-18(15)17)8-10-26-11-9-21;1-23-20-10-9-15(14-21(20)24-16-6-2-3-7-16)18-11-12-19(25-18)17-8-4-5-13-22-17/h2-10,13-15,25,28H,11-12H2,1H3,(H,30,32);2-4,7-8,11-16,18,23,25H,5-6,9-10,17,19H2,1H3;10-15,18,21H,4-9H2,1-3H3;14-18,21H,4-13H2,1-3H3;4-13,29H,14H2,1-3H3,(H,26,28);9-10,12,14-15,17,22H,3-8,11,13H2,1-2H3;7-10,12-13,15,29H,2-6,11H2,1H3;7-8,11,13-14,16,21H,3-6,9-10,12H2,1-2H3;5-6,15H,3-4,7-13H2,1-2H3;2-3,14H,4-12H2,1H3,(H,23,24);4-5,8-14,16H,2-3,6-7H2,1H3
InChIKeyXIXILJSTBCPMCS-UHFFFAOYSA-N
XLogP54.72
TPSA708.12 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds65
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004503.99
LogP ≤ 554.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Analyze 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate?
The IUPAC name of 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate (CID 159182940) is 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate?
The canonical SMILES for 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate is CCCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.CCOC(=O)C1CCC(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)CC1.CCOc1cc2c(cc1OC)C(c1ccc(-c3nnn(CC)n3)cc1)=NC1CCCCC21.COC(=O)C1CCC(C#N)(c2ccc(OC)c3c2CC2(CCCC2)O3)CC1.COCCOC(Cc1c(Cl)cncc1Cl)c1ccc(OC)c(OC2CCCC2)c1.COc1cc2c3c(c1)C(c1ccccc1)=NC(NC(=O)c1cc4ccccc4[nH]1)C(=O)N3CC2.COc1ccc(-c2ccc(-c3ccccn3)o2)cc1OC1CCCC1.COc1ccc(C(Cc2ccncc2)OCc2ccccc2)cc1OC1CCCC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)c2c1OC1(CCOCC1)C2.Cc1cn(CC2CCCCC2)c2cc(C(=O)N=c3c(Cl)cn(O)cc3Cl)ccc12.Cc1noc2c(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)O)cc3)cccc12.
What is the InChIKey of 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate?
The InChIKey is XIXILJSTBCPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3.C26H29NO3.C25H29N5O2.C25H35NO4.C24H23N3O4.C23H29Cl2NO3.C22H23Cl2N3O2.C22H27Cl2NO4.C22H27NO4.C21H25NO5.C21H21NO3/c1-34-19-13-18-11-12-31-24(18)20(15-19)23(16-7-3-2-4-8-16)29-25(27(31)33)30-26(32)22-14-17-9-5-6-10-21(17)28-22;1-28-24-12-11-22(18-26(24)30-23-9-5-6-10-23)25(17-20-13-15-27-16-14-20)29-19-21-7-3-2-4-8-21;1-4-30-28-25(27-29-30)17-12-10-16(11-13-17)24-20-15-22(31-3)23(32-5-2)14-19(20)18-8-6-7-9-21(18)26-24;1-4-29-23-14-19-18-8-6-7-9-21(18)26-24(20(19)15-22(23)28-3)16-10-12-17(13-11-16)25(27)30-5-2;1-15-18-6-4-8-20(21(18)31-27-15)30-23-19(7-5-13-25-23)22(28)26-14-16-9-11-17(12-10-16)24(2,3)29;1-3-4-11-28-22(13-18-19(24)14-26-15-20(18)25)16-9-10-21(27-2)23(12-16)29-17-7-5-6-8-17;1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24;1-26-9-10-28-21(12-17-18(23)13-25-14-19(17)24)15-7-8-20(27-2)22(11-15)29-16-5-3-4-6-16;1-25-18-6-5-17(16-13-22(27-19(16)18)9-3-4-10-22)21(14-23)11-7-15(8-12-21)20(24)26-2;1-25-17-3-2-16(20(13-22)6-4-14(5-7-20)19(23)24)15-12-21(27-18(15)17)8-10-26-11-9-21;1-23-20-10-9-15(14-21(20)24-16-6-2-3-7-16)18-11-12-19(25-18)17-8-4-5-13-22-17/h2-10,13-15,25,28H,11-12H2,1H3,(H,30,32);2-4,7-8,11-16,18,23,25H,5-6,9-10,17,19H2,1H3;10-15,18,21H,4-9H2,1-3H3;14-18,21H,4-13H2,1-3H3;4-13,29H,14H2,1-3H3,(H,26,28);9-10,12,14-15,17,22H,3-8,11,13H2,1-2H3;7-10,12-13,15,29H,2-6,11H2,1H3;7-8,11,13-14,16,21H,3-6,9-10,12H2,1-2H3;5-6,15H,3-4,7-13H2,1-2H3;2-3,14H,4-12H2,1H3,(H,23,24);4-5,8-14,16H,2-3,6-7H2,1H3.
What are the key properties of 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate?
4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate has a molecular weight of 4503.99 g/mol, XLogP of 54.72, 65 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butoxy-2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]-3,5-dichloropyridine;4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,4'-oxane]-4-yl)cyclohexane-1-carboxylic acid;1-(cyclohexylmethyl)-N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3-methylindole-6-carboxamide;2-[5-(3-cyclopentyloxy-4-methoxyphenyl)furan-2-yl]pyridine;4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylmethoxyethyl]pyridine;3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2-methoxyethoxy)ethyl]pyridine;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2-[(3-methyl-1,2-benzoxazol-7-yl)oxy]pyridine-3-carboxamide;N-(6-methoxy-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl)-1H-indole-2-carboxamide;methyl 4-cyano-4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 159182940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).