5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid

C187H241N21O32 — CID 159918259

IUPAC5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(=O)N1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.CC(C)c1cc(C(=O)N2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(C(=O)N2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(CN2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(C)c2ncc(C(=O)O)cc12.CCc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C(C)C)c32)c1.COCCOCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COCCOCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCOCCn1c(C(C)=O)cc2cccc(C(C)C)c21.COCCOc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cc(C)ccn1
InChIInChI=1S/C22H26N2O4.C21H24N2O2.C20H27N3O3.C19H23N3O4.2C19H25N3O3.C19H27NO3.C18H25NO5.C18H25NO3.C12H14N2O2/c1-14(2)17-5-6-20(28-10-9-27-4)18-12-19(22(25)26)24(21(17)18)13-16-11-15(3)7-8-23-16;1-5-15-6-7-22-17(10-15)12-23-19(21(24)25)11-16-8-14(4)9-18(13(2)3)20(16)23;1-13(2)17-10-15(12-22-5-7-23(8-6-22)14(3)24)9-16-11-18(20(25)26)21(4)19(16)17;1-11(2)14-8-13(18(24)22-6-5-20(3)16(23)10-22)7-12-9-15(19(25)26)21(4)17(12)14;1-12(2)15-10-14(18(23)22-7-5-20(3)6-8-22)9-13-11-16(19(24)25)21(4)17(13)15;1-12(2)15-8-13(10-22-6-5-20(3)17(23)11-22)7-14-9-16(19(24)25)21(4)18(14)15;1-13(2)17-11-14(3)10-16-12-18(15(4)21)20(19(16)17)6-7-23-9-8-22-5;1-12(2)15-11-14(24-8-7-23-6-5-22-4)9-13-10-16(18(20)21)19(3)17(13)15;1-13(2)16-7-5-6-15-12-17(14(3)20)19(18(15)16)8-9-22-11-10-21-4;1-7(2)10-6-14(3)11-9(10)4-8(5-13-11)12(15)16/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,25,26);6-11,13H,5,12H2,1-4H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);7-9,11H,5-6,10H2,1-4H3,(H,25,26);9-12H,5-8H2,1-4H3,(H,24,25);7-9,12H,5-6,10-11H2,1-4H3,(H,24,25);10-13H,6-9H2,1-5H3;9-12H,5-8H2,1-4H3,(H,20,21);5-7,12-13H,8-11H2,1-4H3;4-7H,1-3H3,(H,15,16)
InChIKeyNYBJNRQKJQAILP-UHFFFAOYSA-N
MW3295.10 g/mol
LogP31.26
Rot. Bonds54

About 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid

5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 159918259) has the molecular formula C187H241N21O32 and a molecular weight of 3295.10 g/mol. Its IUPAC name is 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID159918259
Molecular FormulaC187H241N21O32
Molecular Weight3295.10 g/mol
Exact Mass3292.79
IUPAC Name5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCC(=O)N1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.CC(C)c1cc(C(=O)N2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(C(=O)N2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(CN2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(C)c2ncc(C(=O)O)cc12.CCc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C(C)C)c32)c1.COCCOCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COCCOCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCOCCn1c(C(C)=O)cc2cccc(C(C)C)c21.COCCOc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cc(C)ccn1
InChIInChI=1S/C22H26N2O4.C21H24N2O2.C20H27N3O3.C19H23N3O4.2C19H25N3O3.C19H27NO3.C18H25NO5.C18H25NO3.C12H14N2O2/c1-14(2)17-5-6-20(28-10-9-27-4)18-12-19(22(25)26)24(21(17)18)13-16-11-15(3)7-8-23-16;1-5-15-6-7-22-17(10-15)12-23-19(21(24)25)11-16-8-14(4)9-18(13(2)3)20(16)23;1-13(2)17-10-15(12-22-5-7-23(8-6-22)14(3)24)9-16-11-18(20(25)26)21(4)19(16)17;1-11(2)14-8-13(18(24)22-6-5-20(3)16(23)10-22)7-12-9-15(19(25)26)21(4)17(12)14;1-12(2)15-10-14(18(23)22-7-5-20(3)6-8-22)9-13-11-16(19(24)25)21(4)17(13)15;1-12(2)15-8-13(10-22-6-5-20(3)17(23)11-22)7-14-9-16(19(24)25)21(4)18(14)15;1-13(2)17-11-14(3)10-16-12-18(15(4)21)20(19(16)17)6-7-23-9-8-22-5;1-12(2)15-11-14(24-8-7-23-6-5-22-4)9-13-10-16(18(20)21)19(3)17(13)15;1-13(2)16-7-5-6-15-12-17(14(3)20)19(18(15)16)8-9-22-11-10-21-4;1-7(2)10-6-14(3)11-9(10)4-8(5-13-11)12(15)16/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,25,26);6-11,13H,5,12H2,1-4H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);7-9,11H,5-6,10H2,1-4H3,(H,25,26);9-12H,5-8H2,1-4H3,(H,24,25);7-9,12H,5-6,10-11H2,1-4H3,(H,24,25);10-13H,6-9H2,1-5H3;9-12H,5-8H2,1-4H3,(H,20,21);5-7,12-13H,8-11H2,1-4H3;4-7H,1-3H3,(H,15,16)
InChIKeyNYBJNRQKJQAILP-UHFFFAOYSA-N
XLogP31.26
TPSA614.85 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds54
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003295.10
LogP ≤ 531.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[8-[6,9-Bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
CID 57958229
3-[8-[6,9-Bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
CID 89308824
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143
3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
CID 118654998
CID 157071424
CID 157071424
4-[4-[[4-[4-[[(6aS)-2-methyl-6-(oxan-2-yloxy)-12-oxo-5-prop-2-enoxycarbonyl-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylic acid;prop-2-enyl (6aS)-2-methyl-3-[4-[[1-methyl-2-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]imidazol-4-yl]amino]-4-oxobutoxy]-6-(oxan-2-yloxy)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-5-carboxylate
CID 157101258
6-Tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid
CID 157149964
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588
1-benzyl-3-propan-2-ylindole-5-carboxylic acid;1-[(3-cyanophenyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-cyano-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;N,N-dimethyl-2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]acetamide;1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethoxy)-7-propan-2-ylindole-2-carboxylic acid
CID 157175953
4-[4-[[4-[4-[[(6aS)-2-methyl-6-(oxan-2-yloxy)-12-oxo-5-prop-2-enoxycarbonyl-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazole-2-carbonyl]amino]phenyl]-1-methylpyrrole-2-carboxylic acid;prop-2-enyl (6aS)-3-[4-[[2-[[4-(5-acetyl-1-methylpyrrol-3-yl)phenyl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutoxy]-2-methyl-6-(oxan-2-yloxy)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-5-carboxylate
CID 157228220
6-[2-[4-(Dimethylamino)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-5-carboxylic acid;7-isoquinolin-7-yloxyimidazo[1,2-a]pyridine-5-carboxylic acid;7-(2-methoxyphenoxy)imidazo[1,2-a]pyridine-5-carboxylic acid;7-phenoxyimidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-piperidin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157324489
3,6-Bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole;2-[3-[2-[9-[3-(4,5-dimethyl-1-propan-2-ylimidazol-2-yl)phenyl]carbazol-3-yl]-6-[3-(1,3-oxazol-2-yl)phenyl]-8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-1,3-oxazole;8-[(2,6-diphenyl-4-pyridinyl)methoxy]-5-[3-[3-[8-[(2,6-diphenyl-4-pyridinyl)methoxy]pyrido[4,3-b]indol-5-yl]phenyl]phenyl]pyrido[4,3-b]indole
CID 157337041

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 159918259) is 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid is CC(=O)N1CCN(Cc2cc(C(C)C)c3c(c2)cc(C(=O)O)n3C)CC1.CC(C)c1cc(C(=O)N2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(C(=O)N2CCN(C)CC2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cc(CN2CCN(C)C(=O)C2)cc2cc(C(=O)O)n(C)c12.CC(C)c1cn(C)c2ncc(C(=O)O)cc12.CCc1ccnc(Cn2c(C(=O)O)cc3cc(C)cc(C(C)C)c32)c1.COCCOCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COCCOCCn1c(C(C)=O)cc2cc(C)cc(C(C)C)c21.COCCOCCn1c(C(C)=O)cc2cccc(C(C)C)c21.COCCOc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cc(C)ccn1.
What is the InChIKey of 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is NYBJNRQKJQAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4.C21H24N2O2.C20H27N3O3.C19H23N3O4.2C19H25N3O3.C19H27NO3.C18H25NO5.C18H25NO3.C12H14N2O2/c1-14(2)17-5-6-20(28-10-9-27-4)18-12-19(22(25)26)24(21(17)18)13-16-11-15(3)7-8-23-16;1-5-15-6-7-22-17(10-15)12-23-19(21(24)25)11-16-8-14(4)9-18(13(2)3)20(16)23;1-13(2)17-10-15(12-22-5-7-23(8-6-22)14(3)24)9-16-11-18(20(25)26)21(4)19(16)17;1-11(2)14-8-13(18(24)22-6-5-20(3)16(23)10-22)7-12-9-15(19(25)26)21(4)17(12)14;1-12(2)15-10-14(18(23)22-7-5-20(3)6-8-22)9-13-11-16(19(24)25)21(4)17(13)15;1-12(2)15-8-13(10-22-6-5-20(3)17(23)11-22)7-14-9-16(19(24)25)21(4)18(14)15;1-13(2)17-11-14(3)10-16-12-18(15(4)21)20(19(16)17)6-7-23-9-8-22-5;1-12(2)15-11-14(24-8-7-23-6-5-22-4)9-13-10-16(18(20)21)19(3)17(13)15;1-13(2)16-7-5-6-15-12-17(14(3)20)19(18(15)16)8-9-22-11-10-21-4;1-7(2)10-6-14(3)11-9(10)4-8(5-13-11)12(15)16/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,25,26);6-11,13H,5,12H2,1-4H3,(H,24,25);9-11,13H,5-8,12H2,1-4H3,(H,25,26);7-9,11H,5-6,10H2,1-4H3,(H,25,26);9-12H,5-8H2,1-4H3,(H,24,25);7-9,12H,5-6,10-11H2,1-4H3,(H,24,25);10-13H,6-9H2,1-5H3;9-12H,5-8H2,1-4H3,(H,20,21);5-7,12-13H,8-11H2,1-4H3;4-7H,1-3H3,(H,15,16).
What are the key properties of 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 3295.10 g/mol, XLogP of 31.26, 54 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylpiperazin-1-yl)methyl]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[(4-ethyl-2-pyridinyl)methyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindol-2-yl]ethanone;1-[1-[2-(2-methoxyethoxy)ethyl]-7-propan-2-ylindol-2-yl]ethanone;4-(2-methoxyethoxy)-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methyl-3-oxopiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(4-methylpiperazine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 159918259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).