1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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

C267H307N27O52 — CID 158373816

IUPAC1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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)C1=CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)c1cnc2c(cnn2CC)c1NN.CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC.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.COCCOc1cc(OCCOC)cc(-c2nc(C)cc3cc(OC)c(OC)cc23)c1.COc1cc(OC)cc(C2=NC(CO)Cc3cc(OC)c(OC)cc32)c1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(CCNC(=O)C(N)=O)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C34H30N4O5.C24H29NO6.C21H27NO4.C21H25NO4.C21H27NO4.C21H25NO4.C20H23NO5.2C20H25NO4.C19H13N5O4.C19H21N3O2.C16H22N2O4.C11H15N5O2/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22;1-16-10-17-13-22(28-4)23(29-5)15-21(17)24(25-16)18-11-19(30-8-6-26-2)14-20(12-18)31-9-7-27-3;2*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;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;1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20;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;1-21-13-7-6-11(8-9-18-16(20)15(17)19)10-14(13)22-12-4-2-3-5-12;1-3-16-10-7(6-14-16)9(15-12)8(5-13-10)11(17)18-4-2/h5-18,39-40H,3-4,19-20H2,1-2H3;10-15H,6-9H2,1-5H3;7-8,13,15,17H,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;6-8,12,15H,3-5,9-11,13H2,1-2H3;6-10,14,22H,5,11H2,1-4H3;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);6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19)(H,18,20);5-6H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyGUYIWIYLDKHPIF-UHFFFAOYSA-N
MW4726.53 g/mol
LogP43.99
Rot. Bonds80

About 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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

1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 158373816) has the molecular formula C267H307N27O52 and a molecular weight of 4726.53 g/mol. Its IUPAC name is 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 Name1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 CID158373816
Molecular FormulaC267H307N27O52
Molecular Weight4726.53 g/mol
Exact Mass4723.22
IUPAC Name1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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)C1=CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)c1cnc2c(cnn2CC)c1NN.CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC.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.COCCOc1cc(OCCOC)cc(-c2nc(C)cc3cc(OC)c(OC)cc23)c1.COc1cc(OC)cc(C2=NC(CO)Cc3cc(OC)c(OC)cc32)c1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(CCNC(=O)C(N)=O)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C34H30N4O5.C24H29NO6.C21H27NO4.C21H25NO4.C21H27NO4.C21H25NO4.C20H23NO5.2C20H25NO4.C19H13N5O4.C19H21N3O2.C16H22N2O4.C11H15N5O2/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22;1-16-10-17-13-22(28-4)23(29-5)15-21(17)24(25-16)18-11-19(30-8-6-26-2)14-20(12-18)31-9-7-27-3;2*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;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;1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20;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;1-21-13-7-6-11(8-9-18-16(20)15(17)19)10-14(13)22-12-4-2-3-5-12;1-3-16-10-7(6-14-16)9(15-12)8(5-13-10)11(17)18-4-2/h5-18,39-40H,3-4,19-20H2,1-2H3;10-15H,6-9H2,1-5H3;7-8,13,15,17H,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;6-8,12,15H,3-5,9-11,13H2,1-2H3;6-10,14,22H,5,11H2,1-4H3;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);6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19)(H,18,20);5-6H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyGUYIWIYLDKHPIF-UHFFFAOYSA-N
XLogP43.99
TPSA1038.33 Ų
H-Bond Donors9
H-Bond Acceptors74
Rotatable Bonds80
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004726.53
LogP ≤ 543.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1074

Analyze 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 158373816) is 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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)C1=CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.CCOC(=O)c1cnc2c(cnn2CC)c1NN.CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC.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.COCCOc1cc(OCCOC)cc(-c2nc(C)cc3cc(OC)c(OC)cc23)c1.COc1cc(OC)cc(C2=NC(CO)Cc3cc(OC)c(OC)cc32)c1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(CCNC(=O)C(N)=O)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1.
What is the InChIKey of 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 GUYIWIYLDKHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O5.C24H29NO6.C21H27NO4.C21H25NO4.C21H27NO4.C21H25NO4.C20H23NO5.2C20H25NO4.C19H13N5O4.C19H21N3O2.C16H22N2O4.C11H15N5O2/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22;1-16-10-17-13-22(28-4)23(29-5)15-21(17)24(25-16)18-11-19(30-8-6-26-2)14-20(12-18)31-9-7-27-3;2*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;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;1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20;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;1-21-13-7-6-11(8-9-18-16(20)15(17)19)10-14(13)22-12-4-2-3-5-12;1-3-16-10-7(6-14-16)9(15-12)8(5-13-10)11(17)18-4-2/h5-18,39-40H,3-4,19-20H2,1-2H3;10-15H,6-9H2,1-5H3;7-8,13,15,17H,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;6-8,12,15H,3-5,9-11,13H2,1-2H3;6-10,14,22H,5,11H2,1-4H3;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);6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19)(H,18,20);5-6H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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?
1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 4726.53 g/mol, XLogP of 43.99, 80 rotatable bonds, 9 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;2-[4-[6,7-diethoxy-2,3-bis(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-pyridin-3-ylphthalazin-1-one;[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;ethyl 1-ethyl-4-hydrazinylpyrazolo[3,4-b]pyridine-5-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 158373816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).