4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid

C105H112N12O17 — CID 159007233

IUPAC4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid
SMILESCC(C)c1cc(OCc2ccccc2)cc2c1cc(C(=O)O)n2C.CC(C)c1cccc2cc(C(=O)O)n(CC3COC3)c12.CC(C)c1cccc2cc(C(=O)O)n(Cc3cncnc3)c12.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccnc1.Cc1nc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)co1.Cc1nnc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)o1
InChIInChI=1S/C20H21NO3.C19H20N2O3.C17H17N3O2.C17H18N2O3.C16H17N3O3.C16H19NO3/c1-13(2)16-9-15(24-12-14-7-5-4-6-8-14)10-18-17(16)11-19(20(22)23)21(18)3;1-12(2)14-6-7-17(24-3)15-9-16(19(22)23)21(18(14)15)11-13-5-4-8-20-10-13;1-11(2)14-5-3-4-13-6-15(17(21)22)20(16(13)14)9-12-7-18-10-19-8-12;1-10(2)14-6-4-5-12-7-15(17(20)21)19(16(12)14)8-13-9-22-11(3)18-13;1-9(2)12-6-4-5-11-7-13(16(20)21)19(15(11)12)8-14-18-17-10(3)22-14;1-10(2)13-5-3-4-12-6-14(16(18)19)17(15(12)13)7-11-8-20-9-11/h4-11,13H,12H2,1-3H3,(H,22,23);4-10,12H,11H2,1-3H3,(H,22,23);3-8,10-11H,9H2,1-2H3,(H,21,22);4-7,9-10H,8H2,1-3H3,(H,20,21);4-7,9H,8H2,1-3H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyJSBOZTFAQFGSNY-UHFFFAOYSA-N
MW1814.12 g/mol
LogP21.91
Rot. Bonds26

About 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid

4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid (PubChem CID 159007233) has the molecular formula C105H112N12O17 and a molecular weight of 1814.12 g/mol. Its IUPAC name is 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid
PubChem CID159007233
Molecular FormulaC105H112N12O17
Molecular Weight1814.12 g/mol
Exact Mass1812.83
IUPAC Name4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid
SMILESCC(C)c1cc(OCc2ccccc2)cc2c1cc(C(=O)O)n2C.CC(C)c1cccc2cc(C(=O)O)n(CC3COC3)c12.CC(C)c1cccc2cc(C(=O)O)n(Cc3cncnc3)c12.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccnc1.Cc1nc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)co1.Cc1nnc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)o1
InChIInChI=1S/C20H21NO3.C19H20N2O3.C17H17N3O2.C17H18N2O3.C16H17N3O3.C16H19NO3/c1-13(2)16-9-15(24-12-14-7-5-4-6-8-14)10-18-17(16)11-19(20(22)23)21(18)3;1-12(2)14-6-7-17(24-3)15-9-16(19(22)23)21(18(14)15)11-13-5-4-8-20-10-13;1-11(2)14-5-3-4-13-6-15(17(21)22)20(16(13)14)9-12-7-18-10-19-8-12;1-10(2)14-6-4-5-12-7-15(17(20)21)19(16(12)14)8-13-9-22-11(3)18-13;1-9(2)12-6-4-5-11-7-13(16(20)21)19(15(11)12)8-14-18-17-10(3)22-14;1-10(2)13-5-3-4-12-6-14(16(18)19)17(15(12)13)7-11-8-20-9-11/h4-11,13H,12H2,1-3H3,(H,22,23);4-10,12H,11H2,1-3H3,(H,22,23);3-8,10-11H,9H2,1-2H3,(H,21,22);4-7,9-10H,8H2,1-3H3,(H,20,21);4-7,9H,8H2,1-3H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChIKeyJSBOZTFAQFGSNY-UHFFFAOYSA-N
XLogP21.91
TPSA384.69 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.12
LogP ≤ 521.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-propan-2-ylindole-6-carboxylic acid;N',1-dimethyl-3-propan-2-ylindole-6-carboximidamide;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;6-methoxy-1-methyl-4-propan-2-ylindole-2-carboxylic acid;2-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,3,4-oxadiazole;1-methyl-5-phenylmethoxy-7-propan-2-ylindole-2-carboxylic acid;2-(1-methyl-3-propan-2-ylindol-6-yl)-1,3,4-oxadiazole;2-(1-methyl-7-propan-2-ylindol-2-yl)-1,3,4-oxadiazole;3-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylic acid;1,3,5-trimethyl-7-propan-2-ylindole-2-carboxylic acid
CID 157551792
6-[(4-aminoquinazolin-7-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-3H-quinazolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylate;2-(dimethylamino)ethyl 4-fluoro-6-[(7-fluoro-4-oxo-1H-quinolin-6-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate;4-fluoro-6-[(8-hydroxyquinolin-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane
CID 157827857
3-Methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one
CID 158028917
1-(2-Methoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(4-methoxy-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;1-methyl-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;3-propan-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid;7-propan-2-yl-1-(pyridin-4-ylmethyl)indole-3-carboxylic acid
CID 158068277
1-[2-(Dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;1-(2-ethoxyethyl)-5-methyl-7-propan-2-ylindole-2-carboxylic acid;methane;1-(2-methoxyethyl)-5-[1-(oxetan-3-ylmethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindole;4-methoxy-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-[5-methyl-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-2-yl]ethanone;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;5-methyl-7-propan-2-yl-1-(2-propan-2-yloxyethyl)indole-2-carboxylic acid;1-methyl-3-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 158385093
5-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)-3-propan-2-ylindole;bis(5-[2-(dimethylamino)ethoxy]-1-[(4-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid);5-[2-(dimethylamino)ethoxy]-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;4-methoxy-1-(2-methoxyethyl)-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;4-methoxy-5-phenylmethoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(piperidine-1-carbonyl)-7-propan-2-ylindole-2-carboxylic acid;1-methyl-3-[3-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-1,2,4-triazole;1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone;4-[2-[5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindol-1-yl]ethyl]morpholine
CID 158500897
1-Methyl-6-[(1-methylpyrrolidin-3-yl)methoxy]-4-propan-2-ylindole-2-carboxylic acid;5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-7-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxolan-2-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080425
carbanide;1,3-dimethylimidazo[4,5-c]pyridin-2-one;7,9-dimethylpurin-8-one;ethane;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;3-methyl-[1,3]oxazolo[4,5-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;decakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;1-methyl-3H-pyrrolo[3,2-c]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);4-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;henicosakis(yttrium)
CID 159381540
1-[2,6-Di(propan-2-yl)phenyl]-3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)imidazol-1-ium;4-[2,6-di(propan-2-yl)phenyl]-1-methyl-2-(2-methyl-3-propan-2-yloxyphenyl)pyrazol-1-ium;1,4,4,5,5,9-hexamethyl-3-phenyl-8-propan-2-yloxypyrazolo[1,5-a]quinolin-1-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-1,3-oxazol-3-ium;3-methyl-4-(2-methyl-3-propan-2-yloxyphenyl)-2-phenyl-1,3-oxazol-3-ium
CID 159557071
CID 159673226
CID 159673226
4,5-Dimethoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[1-(2-methoxyethyl)-5-methyl-7-propan-2-ylindol-2-yl]ethanone;4-[2-[5-[1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3-propan-2-ylindol-1-yl]ethyl]morpholine;4-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-methyl-5-(2-piperidin-1-ylethyl)-7-propan-2-ylindole-2-carboxylic acid;1-[5-methyl-7-propan-2-yl-1-(pyridin-2-ylmethyl)indol-2-yl]ethanone;4-[2-[3-propan-2-yl-5-(1-pyrimidin-2-yl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
CID 159712926
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid?
The IUPAC name of 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid (CID 159007233) is 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid is CC(C)c1cc(OCc2ccccc2)cc2c1cc(C(=O)O)n2C.CC(C)c1cccc2cc(C(=O)O)n(CC3COC3)c12.CC(C)c1cccc2cc(C(=O)O)n(Cc3cncnc3)c12.COc1ccc(C(C)C)c2c1cc(C(=O)O)n2Cc1cccnc1.Cc1nc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)co1.Cc1nnc(Cn2c(C(=O)O)cc3cccc(C(C)C)c32)o1.
What is the InChIKey of 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid?
The InChIKey is JSBOZTFAQFGSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3.C19H20N2O3.C17H17N3O2.C17H18N2O3.C16H17N3O3.C16H19NO3/c1-13(2)16-9-15(24-12-14-7-5-4-6-8-14)10-18-17(16)11-19(20(22)23)21(18)3;1-12(2)14-6-7-17(24-3)15-9-16(19(22)23)21(18(14)15)11-13-5-4-8-20-10-13;1-11(2)14-5-3-4-13-6-15(17(21)22)20(16(13)14)9-12-7-18-10-19-8-12;1-10(2)14-6-4-5-12-7-15(17(20)21)19(16(12)14)8-13-9-22-11(3)18-13;1-9(2)12-6-4-5-11-7-13(16(20)21)19(15(11)12)8-14-18-17-10(3)22-14;1-10(2)13-5-3-4-12-6-14(16(18)19)17(15(12)13)7-11-8-20-9-11/h4-11,13H,12H2,1-3H3,(H,22,23);4-10,12H,11H2,1-3H3,(H,22,23);3-8,10-11H,9H2,1-2H3,(H,21,22);4-7,9-10H,8H2,1-3H3,(H,20,21);4-7,9H,8H2,1-3H3,(H,20,21);3-6,10-11H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid?
4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid has a molecular weight of 1814.12 g/mol, XLogP of 21.91, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-propan-2-yl-1-(pyridin-3-ylmethyl)indole-2-carboxylic acid;1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-[(2-methyl-1,3-oxazol-4-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-methyl-6-phenylmethoxy-4-propan-2-ylindole-2-carboxylic acid;1-(oxetan-3-ylmethyl)-7-propan-2-ylindole-2-carboxylic acid;7-propan-2-yl-1-(pyrimidin-5-ylmethyl)indole-2-carboxylic acid is sourced from PubChem (CID 159007233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).