bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one

C110H94N20O11 — CID 159264460

IUPACbis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESCCc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.COc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.O=C1c2cc(-c3cccc(-c4nn[nH]n4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C1c2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C=O.O=C=O
InChIInChI=1S/C29H24N4O3.C27H26N4O.C26H20N8O.C26H24N4O2.2CO2/c34-27-23-16-19(18-3-1-4-21(15-18)29(11-12-29)28(35)36)7-8-20(23)17-33(27)25-6-2-5-24(31-25)26-30-13-14-32(26)22-9-10-22;1-4-19-7-5-8-20(15-19)21-11-12-22-17-31(27(32)23(22)16-21)25-10-6-9-24(29-25)26-28-13-14-30(26)18(2)3;35-26-21-14-17(16-3-1-4-18(13-16)24-29-31-32-30-24)7-8-19(21)15-34(26)23-6-2-5-22(28-23)25-27-11-12-33(25)20-9-10-20;1-17(2)29-13-12-27-25(29)23-8-5-9-24(28-23)30-16-20-11-10-19(15-22(20)26(30)31)18-6-4-7-21(14-18)32-3;2*2-1-3/h1-8,13-16,22H,9-12,17H2,(H,35,36);5-16,18H,4,17H2,1-3H3;1-8,11-14,20H,9-10,15H2,(H,29,30,31,32);4-15,17H,16H2,1-3H3;;
InChIKeyKWXPZDHLNZWGOO-UHFFFAOYSA-N
MW1872.09 g/mol
LogP19.62
Rot. Bonds21

About bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one

bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 159264460) has the molecular formula C110H94N20O11 and a molecular weight of 1872.09 g/mol. Its IUPAC name is bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Namebis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
PubChem CID159264460
Molecular FormulaC110H94N20O11
Molecular Weight1872.09 g/mol
Exact Mass1870.74
IUPAC Namebis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
SMILESCCc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.COc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.O=C1c2cc(-c3cccc(-c4nn[nH]n4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C1c2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C=O.O=C=O
InChIInChI=1S/C29H24N4O3.C27H26N4O.C26H20N8O.C26H24N4O2.2CO2/c34-27-23-16-19(18-3-1-4-21(15-18)29(11-12-29)28(35)36)7-8-20(23)17-33(27)25-6-2-5-24(31-25)26-30-13-14-32(26)22-9-10-22;1-4-19-7-5-8-20(15-19)21-11-12-22-17-31(27(32)23(22)16-21)25-10-6-9-24(29-25)26-28-13-14-30(26)18(2)3;35-26-21-14-17(16-3-1-4-18(13-16)24-29-31-32-30-24)7-8-19(21)15-34(26)23-6-2-5-22(28-23)25-27-11-12-33(25)20-9-10-20;1-17(2)29-13-12-27-25(29)23-8-5-9-24(28-23)30-16-20-11-10-19(15-22(20)26(30)31)18-6-4-7-21(14-18)32-3;2*2-1-3/h1-8,13-16,22H,9-12,17H2,(H,35,36);5-16,18H,4,17H2,1-3H3;1-8,11-14,20H,9-10,15H2,(H,29,30,31,32);4-15,17H,16H2,1-3H3;;
InChIKeyKWXPZDHLNZWGOO-UHFFFAOYSA-N
XLogP19.62
TPSA373.35 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.09
LogP ≤ 519.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-hydroxycyclopropyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methyl 2-[7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]benzoate;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(2H-triazol-4-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167637259
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
3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-(2-methoxyphenyl)-N-(3-methylbutyl)acetamide;3-methoxy-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157479956
5-cyclopentyloxy-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(dimethylamino)-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate
CID 157507689
2-[2-chloro-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;2-[3-chloro-4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid;2-[3-methoxy-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
CID 157581576
3-fluoro-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;3-methyl-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-(3-oxo-1H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157961466
(6-Cyclopropyl-3-pyridinyl)boronic acid;15-(6-cyclopropyl-3-pyridinyl)-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-hydroxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;15-methyl-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;tribromoborane
CID 158065118
carbon dioxide;6-[3-(hydroxymethyl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-oxo-3H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]acetic acid;1-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid
CID 158192875
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylic acid;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methane;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;pyrrolidine
CID 158274417
tris(carbon dioxide);cumene;2,3-dimethylbutan-1-amine;N-ethyl-4-methylpentan-1-amine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;3-methylbutan-1-amine;1-(3-methylbutyl)imidazole;2-methylhexane;1-(5-methylhexyl)imidazole;bis(2-methyloctane);1-(7-methyloctyl)imidazole;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-methylpropylcyclopentane;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;N,N,3-trimethylbutan-1-amine;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 158329551
tetrakis(carbon dioxide);6-(2-fluorophenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-[2-(hydroxymethyl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-methyl-2-[4-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]phenyl]propanoic acid;bis(6-phenyl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one)
CID 158404946
6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-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]-6-(6-methoxy-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(6-methyl-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 158536950

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one (CID 159264460) is bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one is CCc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.COc1cccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C(C)C)n2)C3)c1.O=C1c2cc(-c3cccc(-c4nn[nH]n4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C1c2cc(-c3cccc(C4(C(=O)O)CC4)c3)ccc2CN1c1cccc(-c2nccn2C2CC2)n1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is KWXPZDHLNZWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3.C27H26N4O.C26H20N8O.C26H24N4O2.2CO2/c34-27-23-16-19(18-3-1-4-21(15-18)29(11-12-29)28(35)36)7-8-20(23)17-33(27)25-6-2-5-24(31-25)26-30-13-14-32(26)22-9-10-22;1-4-19-7-5-8-20(15-19)21-11-12-22-17-31(27(32)23(22)16-21)25-10-6-9-24(29-25)26-28-13-14-30(26)18(2)3;35-26-21-14-17(16-3-1-4-18(13-16)24-29-31-32-30-24)7-8-19(21)15-34(26)23-6-2-5-22(28-23)25-27-11-12-33(25)20-9-10-20;1-17(2)29-13-12-27-25(29)23-8-5-9-24(28-23)30-16-20-11-10-19(15-22(20)26(30)31)18-6-4-7-21(14-18)32-3;2*2-1-3/h1-8,13-16,22H,9-12,17H2,(H,35,36);5-16,18H,4,17H2,1-3H3;1-8,11-14,20H,9-10,15H2,(H,29,30,31,32);4-15,17H,16H2,1-3H3;;.
What are the key properties of bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one?
bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 1872.09 g/mol, XLogP of 19.62, 21 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);1-[3-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]cyclopropane-1-carboxylic acid;2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-6-[3-(2H-tetrazol-5-yl)phenyl]-3H-isoindol-1-one;6-(3-ethylphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(3-methoxyphenyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 159264460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).