4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C191H218N20O37 — CID 158387484

IUPAC4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C21H27NO4.C21H25NO4.C21H27NO4.2C20H25NO4.C19H13N5O4.C19H21N3O2.C17H14N4O3.C17H20N2O5.C16H21NO3/c2*1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2;1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h7-8,13,15,17H,3-6,9-12H2,1-2H3;7-9,13,17H,3-6,10-12H2,1-2H3;6-7,12,15-16H,3-5,8-11,13H2,1-2H3;5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyGWNRANOZGVNJEV-UHFFFAOYSA-N
MW3385.95 g/mol
LogP33.92
Rot. Bonds50

About 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 158387484) has the molecular formula C191H218N20O37 and a molecular weight of 3385.95 g/mol. Its IUPAC name is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID158387484
Molecular FormulaC191H218N20O37
Molecular Weight3385.95 g/mol
Exact Mass3383.58
IUPAC Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C21H27NO4.C21H25NO4.C21H27NO4.2C20H25NO4.C19H13N5O4.C19H21N3O2.C17H14N4O3.C17H20N2O5.C16H21NO3/c2*1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2;1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h7-8,13,15,17H,3-6,9-12H2,1-2H3;7-9,13,17H,3-6,10-12H2,1-2H3;6-7,12,15-16H,3-5,8-11,13H2,1-2H3;5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyGWNRANOZGVNJEV-UHFFFAOYSA-N
XLogP33.92
TPSA748.00 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003385.95
LogP ≤ 533.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 157595323
CID 158035434
CID 158035434
CID 158373816
CID 158373816
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 159137021
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 159462971
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione;1-butyl-3-propyl-7H-purine-2,6-dione;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;4-(3-nitrophenyl)-6-phenyl-1H-pyrazolo[4,5-d]pyrimidine-5,7-dione;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 159772127
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-4-methoxy-3-[(1-oxidopyridin-1-ium-2-yl)methoxy]benzamide;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione;(2S,3R)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 160529973
3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione
CID 160650528

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 158387484) is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1.
What is the InChIKey of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GWNRANOZGVNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4.C21H25NO4.C21H27NO4.2C20H25NO4.C19H13N5O4.C19H21N3O2.C17H14N4O3.C17H20N2O5.C16H21NO3/c2*1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2;1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15;1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h7-8,13,15,17H,3-6,9-12H2,1-2H3;7-9,13,17H,3-6,10-12H2,1-2H3;6-7,12,15-16H,3-5,8-11,13H2,1-2H3;5-6,11,14-15H,3-4,7-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);1-5,8-9,11H,6-7,10H2;4-5,8,13H,6-7,9H2,1-3H3,(H,18,20);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 3385.95 g/mol, XLogP of 33.92, 50 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 158387484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).