ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate

C100H102N8O15 — CID 158974211

IUPACethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)-c2[nH]ncc2CC1(C)C.CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)C(C=O)CC1(C)C.COC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)CCC1(C)C.COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1
InChIInChI=1S/C26H27N3O3.C26H27NO5.C24H23N3O3.C24H25NO4/c1-5-32-25(30)17-8-11-21-20(12-17)22-24(23-18(14-27-28-23)13-26(22,2)3)29(21)15-16-6-9-19(31-4)10-7-16;1-5-32-25(30)17-8-11-21-20(12-17)22-23(24(29)18(15-28)13-26(22,2)3)27(21)14-16-6-9-19(31-4)10-7-16;1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14;1-24(2)12-11-20(26)22-21(24)18-13-16(23(27)29-4)7-10-19(18)25(22)14-15-5-8-17(28-3)9-6-15/h6-12,14H,5,13,15H2,1-4H3,(H,27,28);6-12,15,18H,5,13-14H2,1-4H3;4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29);5-10,13H,11-12,14H2,1-4H3
InChIKeyJOEJLGVNESESMD-UHFFFAOYSA-N
MW1655.96 g/mol
LogP19.01
Rot. Bonds19

About ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate

ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate (PubChem CID 158974211) has the molecular formula C100H102N8O15 and a molecular weight of 1655.96 g/mol. Its IUPAC name is ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate
PubChem CID158974211
Molecular FormulaC100H102N8O15
Molecular Weight1655.96 g/mol
Exact Mass1654.75
IUPAC Nameethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)-c2[nH]ncc2CC1(C)C.CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)C(C=O)CC1(C)C.COC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)CCC1(C)C.COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1
InChIInChI=1S/C26H27N3O3.C26H27NO5.C24H23N3O3.C24H25NO4/c1-5-32-25(30)17-8-11-21-20(12-17)22-24(23-18(14-27-28-23)13-26(22,2)3)29(21)15-16-6-9-19(31-4)10-7-16;1-5-32-25(30)17-8-11-21-20(12-17)22-23(24(29)18(15-28)13-26(22,2)3)27(21)14-16-6-9-19(31-4)10-7-16;1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14;1-24(2)12-11-20(26)22-21(24)18-13-16(23(27)29-4)7-10-19(18)25(22)14-15-5-8-17(28-3)9-6-15/h6-12,14H,5,13,15H2,1-4H3,(H,27,28);6-12,15,18H,5,13-14H2,1-4H3;4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29);5-10,13H,11-12,14H2,1-4H3
InChIKeyJOEJLGVNESESMD-UHFFFAOYSA-N
XLogP19.01
TPSA281.41 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001655.96
LogP ≤ 519.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate with MolForge

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Related Compounds

1-[4-[1-(4-Methoxyphenyl)pyrazol-3-yl]phenyl]ethenol;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethenol
CID 160073359
1-[4-[1-(4-Methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone
CID 161330135
Ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate
CID 71276804
10-[(4-Methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid
CID 71276808
3-[3-(2-benzofuran-1-yl)-5-(2,3-dihydroindol-1-yl)-7-indolizin-1-yl-6-(1H-indol-2-yl)-2H-isoindol-1-yl]-1H-indazole
CID 141107884
5-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-6-methoxypyridine-2-carboxamide;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-3-methylpyrazol-1-yl]acetic acid;2-[4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]pyrazol-1-yl]-2-methylpropanamide
CID 157241017
5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-6-methoxypyridine-2-carboxamide;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]acetic acid;4-[2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]-2-oxoethyl]pyrrolidin-2-one;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropanamide
CID 157467553
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[[7-(methoxymethyl)-9-[(4-methoxyphenyl)methyl]-5,5,7-trimethyl-8-oxo-6H-carbazole-3-carbonyl]amino]pyrrolidine-1-carboxylate;N-cyclopentyl-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;7-(methoxymethyl)-9-[(4-methoxyphenyl)methyl]-5,5,7-trimethyl-8-oxo-6H-carbazole-3-carboxylic acid
CID 157524858
Ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid
CID 157866387
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide
CID 158220310
3-(2-methoxyphenyl)-1H-indazole-5-carboxylic acid;3-naphthalen-2-yl-1H-indazole-5-carboxylic acid;3-pyridin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-2-yl-1H-indazole-5-carboxylic acid;3-quinolin-3-yl-1H-indazole-5-carboxylic acid;3-quinolin-4-yl-1H-indazole-5-carboxylic acid
CID 158792396
(5aR,6R,9aS)-6,9a-dimethyl-1-[4-(2-methylphenyl)phenyl]-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-6,9a-dimethyl-7-oxo-1-(4-phenylphenyl)-3-pyridin-2-yl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-1-[4-[4-(dimethylamino)phenyl]phenyl]-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-1-[4-[2-(hydroxymethyl)phenyl]phenyl]-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile;(5aR,6R,9aS)-1-[4-[3-(hydroxymethyl)phenyl]phenyl]-8-isocyano-6,9a-dimethyl-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazol-7-one;(5aR,6R,9aS)-1-[4-(4-methoxyphenyl)phenyl]-6,9a-dimethyl-7-oxo-3-phenyl-4,5,5a,6-tetrahydrobenzo[g]indazole-8-carbonitrile
CID 158931262

Frequently Asked Questions

What is the IUPAC name of ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate?
The IUPAC name of ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate (CID 158974211) is ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate.
What is the SMILES notation for ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate?
The canonical SMILES for ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate is CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)-c2[nH]ncc2CC1(C)C.CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)C(C=O)CC1(C)C.COC(=O)c1ccc2c(c1)c1c(n2Cc2ccc(OC)cc2)C(=O)CCC1(C)C.COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1.
What is the InChIKey of ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate?
The InChIKey is JOEJLGVNESESMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3.C26H27NO5.C24H23N3O3.C24H25NO4/c1-5-32-25(30)17-8-11-21-20(12-17)22-24(23-18(14-27-28-23)13-26(22,2)3)29(21)15-16-6-9-19(31-4)10-7-16;1-5-32-25(30)17-8-11-21-20(12-17)22-23(24(29)18(15-28)13-26(22,2)3)27(21)14-16-6-9-19(31-4)10-7-16;1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14;1-24(2)12-11-20(26)22-21(24)18-13-16(23(27)29-4)7-10-19(18)25(22)14-15-5-8-17(28-3)9-6-15/h6-12,14H,5,13,15H2,1-4H3,(H,27,28);6-12,15,18H,5,13-14H2,1-4H3;4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29);5-10,13H,11-12,14H2,1-4H3.
What are the key properties of ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate?
ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate has a molecular weight of 1655.96 g/mol, XLogP of 19.01, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-formyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate;ethyl 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylate;10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate is sourced from PubChem (CID 158974211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).