2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid

C127H109FN22O15 — CID 158912597

IUPAC2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid
SMILESCC1=C(c2ccc3[nH]c(-c4nc(C)no4)cc3c2)N=C(C(=O)CCc2ccc(F)cc2)C1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccc(CC(=O)O)cc4)nn3C)ccc2[nH]1.Cc1noc(-c2cc3cc(-c4cc(C(=O)CCc5ccncc5)nn4C)ccc3[nH]2)n1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cccnc3)cc2c1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cncnc3)cc2c1
InChIInChI=1S/C27H22N4O3.C26H21N5O3.C26H25N3O5.C25H21FN4O2.C23H20N6O2/c1-31-25(15-24(30-31)26(32)11-6-17-4-7-18(8-5-17)27(33)34)19-9-10-22-21(13-19)14-23(29-22)20-3-2-12-28-16-20;1-31-24(12-23(30-31)25(32)9-4-16-2-5-17(6-3-16)26(33)34)18-7-8-21-19(10-18)11-22(29-21)20-13-27-15-28-14-20;1-3-34-26(33)22-14-19-13-18(9-10-20(19)27-22)23-15-21(28-29(23)2)24(30)11-8-16-4-6-17(7-5-16)12-25(31)32;1-14-11-21(23(31)10-5-16-3-7-19(26)8-4-16)29-24(14)17-6-9-20-18(12-17)13-22(28-20)25-27-15(2)30-32-25;1-14-25-23(31-28-14)20-12-17-11-16(4-5-18(17)26-20)21-13-19(27-29(21)2)22(30)6-3-15-7-9-24-10-8-15/h2-5,7-10,12-16,29H,6,11H2,1H3,(H,33,34);2-3,5-8,10-15,29H,4,9H2,1H3,(H,33,34);4-7,9-10,13-15,27H,3,8,11-12H2,1-2H3,(H,31,32);3-4,6-9,12-13,28H,5,10-11H2,1-2H3;4-5,7-13,26H,3,6H2,1-2H3
InChIKeyJGVLGDLICYBHTA-UHFFFAOYSA-N
MW2202.41 g/mol
LogP23.45
Rot. Bonds35

About 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid

2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid (PubChem CID 158912597) has the molecular formula C127H109FN22O15 and a molecular weight of 2202.41 g/mol. Its IUPAC name is 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid
PubChem CID158912597
Molecular FormulaC127H109FN22O15
Molecular Weight2202.41 g/mol
Exact Mass2200.84
IUPAC Name2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid
SMILESCC1=C(c2ccc3[nH]c(-c4nc(C)no4)cc3c2)N=C(C(=O)CCc2ccc(F)cc2)C1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccc(CC(=O)O)cc4)nn3C)ccc2[nH]1.Cc1noc(-c2cc3cc(-c4cc(C(=O)CCc5ccncc5)nn4C)ccc3[nH]2)n1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cccnc3)cc2c1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cncnc3)cc2c1
InChIInChI=1S/C27H22N4O3.C26H21N5O3.C26H25N3O5.C25H21FN4O2.C23H20N6O2/c1-31-25(15-24(30-31)26(32)11-6-17-4-7-18(8-5-17)27(33)34)19-9-10-22-21(13-19)14-23(29-22)20-3-2-12-28-16-20;1-31-24(12-23(30-31)25(32)9-4-16-2-5-17(6-3-16)26(33)34)18-7-8-21-19(10-18)11-22(29-21)20-13-27-15-28-14-20;1-3-34-26(33)22-14-19-13-18(9-10-20(19)27-22)23-15-21(28-29(23)2)24(30)11-8-16-4-6-17(7-5-16)12-25(31)32;1-14-11-21(23(31)10-5-16-3-7-19(26)8-4-16)29-24(14)17-6-9-20-18(12-17)13-22(28-20)25-27-15(2)30-32-25;1-14-25-23(31-28-14)20-12-17-11-16(4-5-18(17)26-20)21-13-19(27-29(21)2)22(30)6-3-15-7-9-24-10-8-15/h2-5,7-10,12-16,29H,6,11H2,1H3,(H,33,34);2-3,5-8,10-15,29H,4,9H2,1H3,(H,33,34);4-7,9-10,13-15,27H,3,8,11-12H2,1-2H3,(H,31,32);3-4,6-9,12-13,28H,5,10-11H2,1-2H3;4-5,7-13,26H,3,6H2,1-2H3
InChIKeyJGVLGDLICYBHTA-UHFFFAOYSA-N
XLogP23.45
TPSA515.54 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002202.41
LogP ≤ 523.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid with MolForge

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Related Compounds

4-(dimethylamino)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]butan-1-one;3-(1,4-dioxan-2-yl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;ethyl 5-[4-methyl-2-(3-pyridin-4-ylpropanoyl)-3H-pyrrol-5-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylate;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-4-morpholin-4-ylbutan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-(oxan-2-yl)propan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-pyridin-2-ylpropan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propan-1-one
CID 159131647
sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide
CID 162266331
1-cyclopenta-1,4-dien-1-yl-4-methylbenzene;5-(4,4-difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(1,4-dimethylcyclohexyl)-3-methyl-1,2,4-oxadiazole;5-(3H-indol-6-yl)-3-methyl-1,2,4-oxadiazole;(2S)-3-(1H-indol-3-yl)-2-methylpropanoic acid;3-methyl-5-(3-methylcyclohexyl)-1,2,4-oxadiazole;N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;3-methyl-5-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole;3-methyl-5-pyridin-2-yl-1,2,4-oxadiazole;3-methyl-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 167708074
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]-7-N-[(1S)-5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91268940
ethyl 3-methyl-5-[7-[4-[4-[4-(2-methylpyrazol-3-yl)-7-(piperidine-1-carbonyl)quinazolin-2-yl]phenyl]piperidine-1-carbonyl]quinoxalin-2-yl]-1H-indole-2-carboxylate
CID 135300350
propan-2-yl 6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-[(pyridazine-4-carbonylamino)methyl]-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-4-[[2-[7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]acetyl]oxymethyl]-1H-indole-2-carboxylate
CID 137387420
6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide;6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 157232054
CID 157310093
CID 157310093
1,5-Dimethyl-7-propan-2-ylindole-2-carboxylic acid;3-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,2,4-oxadiazole;1-methyl-5-(1-methylpyrazol-4-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-5-pyridin-2-ylindole;1-methyl-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indole-2-carboxylic acid;1-[(3-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-6-carboxamide
CID 157436362
CID 157444981
CID 157444981
4-[7-amino-6-bromo-3-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;8-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;methyl 4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrrole-2-carboxylate;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate
CID 157445220
sodium;[2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;8-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;hydroxide
CID 157471246

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid?
The IUPAC name of 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid (CID 158912597) is 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid?
The canonical SMILES for 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid is CC1=C(c2ccc3[nH]c(-c4nc(C)no4)cc3c2)N=C(C(=O)CCc2ccc(F)cc2)C1.CCOC(=O)c1cc2cc(-c3cc(C(=O)CCc4ccc(CC(=O)O)cc4)nn3C)ccc2[nH]1.Cc1noc(-c2cc3cc(-c4cc(C(=O)CCc5ccncc5)nn4C)ccc3[nH]2)n1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cccnc3)cc2c1.Cn1nc(C(=O)CCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cncnc3)cc2c1.
What is the InChIKey of 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid?
The InChIKey is JGVLGDLICYBHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3.C26H21N5O3.C26H25N3O5.C25H21FN4O2.C23H20N6O2/c1-31-25(15-24(30-31)26(32)11-6-17-4-7-18(8-5-17)27(33)34)19-9-10-22-21(13-19)14-23(29-22)20-3-2-12-28-16-20;1-31-24(12-23(30-31)25(32)9-4-16-2-5-17(6-3-16)26(33)34)18-7-8-21-19(10-18)11-22(29-21)20-13-27-15-28-14-20;1-3-34-26(33)22-14-19-13-18(9-10-20(19)27-22)23-15-21(28-29(23)2)24(30)11-8-16-4-6-17(7-5-16)12-25(31)32;1-14-11-21(23(31)10-5-16-3-7-19(26)8-4-16)29-24(14)17-6-9-20-18(12-17)13-22(28-20)25-27-15(2)30-32-25;1-14-25-23(31-28-14)20-12-17-11-16(4-5-18(17)26-20)21-13-19(27-29(21)2)22(30)6-3-15-7-9-24-10-8-15/h2-5,7-10,12-16,29H,6,11H2,1H3,(H,33,34);2-3,5-8,10-15,29H,4,9H2,1H3,(H,33,34);4-7,9-10,13-15,27H,3,8,11-12H2,1-2H3,(H,31,32);3-4,6-9,12-13,28H,5,10-11H2,1-2H3;4-5,7-13,26H,3,6H2,1-2H3.
What are the key properties of 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid?
2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid has a molecular weight of 2202.41 g/mol, XLogP of 23.45, 35 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]phenyl]acetic acid;3-(4-fluorophenyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazol-3-yl]-3-pyridin-4-ylpropan-1-one;4-[3-[1-methyl-5-(2-pyridin-3-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 158912597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).