2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid

C117H108N16O12 — CID 160667033

IUPAC2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C(C)(C)C(=O)O)c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C5(C(=O)O)CC5)c4)cc3C2=O)n1.COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1
InChIInChI=1S/C30H28N4O3.2C29H26N4O3.C29H28N4O3/c1-30(2,29(36)37-3)22-7-4-6-19(16-22)20-10-11-21-18-34(28(35)24(21)17-20)26-9-5-8-25(32-26)27-31-14-15-33(27)23-12-13-23;1-29(2,28(35)36)21-6-3-5-18(15-21)19-9-10-20-17-33(27(34)23(20)16-19)25-8-4-7-24(31-25)26-30-13-14-32(26)22-11-12-22;1-18(2)32-14-13-30-26(32)24-7-4-8-25(31-24)33-17-21-10-9-20(16-23(21)27(33)34)19-5-3-6-22(15-19)29(11-12-29)28(35)36;1-18(2)32-14-13-30-26(32)24-9-6-10-25(31-24)33-17-21-12-11-20(16-23(21)27(33)34)19-7-5-8-22(15-19)29(3,4)28(35)36/h4-11,14-17,23H,12-13,18H2,1-3H3;3-10,13-16,22H,11-12,17H2,1-2H3,(H,35,36);3-10,13-16,18H,11-12,17H2,1-2H3,(H,35,36);5-16,18H,17H2,1-4H3,(H,35,36)
InChIKeyRMLBIJNJTORUGL-UHFFFAOYSA-N
MW1930.25 g/mol
LogP22.21
Rot. Bonds24

About 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid

2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 160667033) has the molecular formula C117H108N16O12 and a molecular weight of 1930.25 g/mol. Its IUPAC name is 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID160667033
Molecular FormulaC117H108N16O12
Molecular Weight1930.25 g/mol
Exact Mass1928.83
IUPAC Name2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C(C)(C)C(=O)O)c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C5(C(=O)O)CC5)c4)cc3C2=O)n1.COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1
InChIInChI=1S/C30H28N4O3.2C29H26N4O3.C29H28N4O3/c1-30(2,29(36)37-3)22-7-4-6-19(16-22)20-10-11-21-18-34(28(35)24(21)17-20)26-9-5-8-25(32-26)27-31-14-15-33(27)23-12-13-23;1-29(2,28(35)36)21-6-3-5-18(15-21)19-9-10-20-17-33(27(34)23(20)16-19)25-8-4-7-24(31-25)26-30-13-14-32(26)22-11-12-22;1-18(2)32-14-13-30-26(32)24-7-4-8-25(31-24)33-17-21-10-9-20(16-23(21)27(33)34)19-5-3-6-22(15-19)29(11-12-29)28(35)36;1-18(2)32-14-13-30-26(32)24-9-6-10-25(31-24)33-17-21-12-11-20(16-23(21)27(33)34)19-7-5-8-22(15-19)29(3,4)28(35)36/h4-11,14-17,23H,12-13,18H2,1-3H3;3-10,13-16,22H,11-12,17H2,1-2H3,(H,35,36);3-10,13-16,18H,11-12,17H2,1-2H3,(H,35,36);5-16,18H,17H2,1-4H3,(H,35,36)
InChIKeyRMLBIJNJTORUGL-UHFFFAOYSA-N
XLogP22.21
TPSA342.28 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.25
LogP ≤ 522.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[8-[[4-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]benzamide;4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]methyl]-N-pyrrolidin-3-ylbenzamide
CID 157083526
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N,N-dimethyl-1-oxo-3H-isoindole-5-carboxamide;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-imidazol-1-ylbutanoyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxybutanoyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1-methylpyrazol-3-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(morpholine-4-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propanoyl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(pyrazole-1-carbonyl)-3H-isoindol-1-one
CID 157186720
5-(2-cyclopropylacetyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-hydroxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methoxypiperidine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-[2-(oxan-4-yl)acetyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(piperidine-1-carbonyl)-3H-isoindol-1-one
CID 157206358
2-[3-cyano-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;2-[2-isocyano-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;2-methyl-2-[2-methyl-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;2-methyl-2-[3-methyl-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid
CID 157280733
tris(carbon dioxide);bis(6-cyclopentyl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one);2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-(4-methylpiperidin-1-yl)-3H-isoindol-1-one;1-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]piperidine-3-carboxylic acid;methyl 2-[4-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate
CID 157393735
4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2R)-4-acetylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-2-fluoro-N,5-dimethylbenzamide;methyl (2S)-2-[[7-methyl-2-[2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate;methyl (2R)-2-[[7-methyl-2-[2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 157437359
2,5-difluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-fluoro-4-methyl-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;methyl 3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]-4-fluorobenzoate;methyl 4-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate;methyl 3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 157475385
4-[3-[[(2S,5R)-4-acetyl-5-methylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[(1-acetyl-5-methylpyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;4-[3-[[(2S)-4-acetylmorpholin-2-yl]methyl]-6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl]-N,3-dimethylbenzamide;methyl 3-[[7-methyl-2-[2-methyl-4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-1-carboxylate
CID 157589035
bis(carbon dioxide);6-cyclopentyl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-(1,2-dihydroxyethyl)-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;2-(1-hydroxypropan-2-yl)-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]cyclohexane-1-carboxylic acid;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 157621598
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-dimethylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-3-methyl-N-propylbenzamide;2,5-dimethyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4-dimethyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157642183
pentakis(carbon dioxide);bis(6-cyclohexyl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one);6-(4-methylpiperidin-1-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-piperidin-1-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-quinazolin-2-yl-3H-isoindol-1-one
CID 157681038
2-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;2-fluoro-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-fluoro-5-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;4-fluoro-3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid;3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 157917062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid (CID 160667033) is 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid is CC(C)(C(=O)O)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C(C)(C)C(=O)O)c4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(-c4cccc(C5(C(=O)O)CC5)c4)cc3C2=O)n1.COC(=O)C(C)(C)c1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)c1.
What is the InChIKey of 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is RMLBIJNJTORUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3.2C29H26N4O3.C29H28N4O3/c1-30(2,29(36)37-3)22-7-4-6-19(16-22)20-10-11-21-18-34(28(35)24(21)17-20)26-9-5-8-25(32-26)27-31-14-15-33(27)23-12-13-23;1-29(2,28(35)36)21-6-3-5-18(15-21)19-9-10-20-17-33(27(34)23(20)16-19)25-8-4-7-24(31-25)26-30-13-14-32(26)22-11-12-22;1-18(2)32-14-13-30-26(32)24-7-4-8-25(31-24)33-17-21-10-9-20(16-23(21)27(33)34)19-5-3-6-22(15-19)29(11-12-29)28(35)36;1-18(2)32-14-13-30-26(32)24-9-6-10-25(31-24)33-17-21-12-11-20(16-23(21)27(33)34)19-7-5-8-22(15-19)29(3,4)28(35)36/h4-11,14-17,23H,12-13,18H2,1-3H3;3-10,13-16,22H,11-12,17H2,1-2H3,(H,35,36);3-10,13-16,18H,11-12,17H2,1-2H3,(H,35,36);5-16,18H,17H2,1-4H3,(H,35,36).
What are the key properties of 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid?
2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 1930.25 g/mol, XLogP of 22.21, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;methyl 2-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoate;2-methyl-2-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;1-[3-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 160667033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).