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

C131H132N22O15 — CID 157393735

IUPACtris(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
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC1CCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)CC1.COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)cc1.O=C(O)C1CCCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)C1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H28N4O3.C25H25N5O3.C25H27N5O.2C24H26N4O.3CO2/c1-30(2,29(36)37-3)22-11-9-19(10-12-22)20-7-8-21-18-34(28(35)24(21)17-20)26-6-4-5-25(32-26)27-31-15-16-33(27)23-13-14-23;31-24-20-13-19(28-11-2-3-17(14-28)25(32)33)7-6-16(20)15-30(24)22-5-1-4-21(27-22)23-26-10-12-29(23)18-8-9-18;1-17-9-12-28(13-10-17)20-6-5-18-16-30(25(31)21(18)15-20)23-4-2-3-22(27-23)24-26-11-14-29(24)19-7-8-19;2*1-16(2)27-13-12-25-23(27)21-8-5-9-22(26-21)28-15-19-11-10-18(14-20(19)24(28)29)17-6-3-4-7-17;3*2-1-3/h4-12,15-17,23H,13-14,18H2,1-3H3;1,4-7,10,12-13,17-18H,2-3,8-9,11,14-15H2,(H,32,33);2-6,11,14-15,17,19H,7-10,12-13,16H2,1H3;2*5,8-14,16-17H,3-4,6-7,15H2,1-2H3;;;
InChIKeyBMIBAUANRDUTPA-UHFFFAOYSA-N
MW2254.64 g/mol
LogP22.91
Rot. Bonds23

About 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

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 (PubChem CID 157393735) has the molecular formula C131H132N22O15 and a molecular weight of 2254.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID157393735
Molecular FormulaC131H132N22O15
Molecular Weight2254.64 g/mol
Exact Mass2253.02
IUPAC Nametris(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
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC1CCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)CC1.COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)cc1.O=C(O)C1CCCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)C1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H28N4O3.C25H25N5O3.C25H27N5O.2C24H26N4O.3CO2/c1-30(2,29(36)37-3)22-11-9-19(10-12-22)20-7-8-21-18-34(28(35)24(21)17-20)26-6-4-5-25(32-26)27-31-15-16-33(27)23-13-14-23;31-24-20-13-19(28-11-2-3-17(14-28)25(32)33)7-6-16(20)15-30(24)22-5-1-4-21(27-22)23-26-10-12-29(23)18-8-9-18;1-17-9-12-28(13-10-17)20-6-5-18-16-30(25(31)21(18)15-20)23-4-2-3-22(27-23)24-26-11-14-29(24)19-7-8-19;2*1-16(2)27-13-12-25-23(27)21-8-5-9-22(26-21)28-15-19-11-10-18(14-20(19)24(28)29)17-6-3-4-7-17;3*2-1-3/h4-12,15-17,23H,13-14,18H2,1-3H3;1,4-7,10,12-13,17-18H,2-3,8-9,11,14-15H2,(H,32,33);2-6,11,14-15,17,19H,7-10,12-13,16H2,1H3;2*5,8-14,16-17H,3-4,6-7,15H2,1-2H3;;;
InChIKeyBMIBAUANRDUTPA-UHFFFAOYSA-N
XLogP22.91
TPSA427.60 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.64
LogP ≤ 522.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(1-Tert-butylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;3-[6-(1-cyclohexylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(4,4-difluorocyclohexyl)imidazol-2-yl]-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(oxan-4-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one;6-(4-ethylimidazol-1-yl)-7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;7-methyl-6-(4-phenylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;7-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(6-propan-2-yl-3-pyridinyl)quinazolin-4-one
CID 159820545
6-(4-Cyclopropylimidazol-1-yl)-3-[6-(1-cyclopropyl-5-methylimidazol-2-yl)-2-pyridinyl]-7-methylquinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1,5-dimethylimidazol-2-yl)-2-pyridinyl]-7-methylquinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5-methyl-1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-pyridinyl]quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
CID 161522037
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
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
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
2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoic acid;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-cyclopropylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-(2-methoxyethyl)benzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-2-ylbenzamide;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-N-pyridin-4-ylbenzamide
CID 157947853
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3ccc(C4CCCC4)cc3C2=O)n1.CC1CCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)CC1.COC(=O)C(C)(C)c1ccc(-c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)cc1.O=C(O)C1CCCN(c2ccc3c(c2)C(=O)N(c2cccc(-c4nccn4C4CC4)n2)C3)C1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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?
The InChIKey is BMIBAUANRDUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3.C25H25N5O3.C25H27N5O.2C24H26N4O.3CO2/c1-30(2,29(36)37-3)22-11-9-19(10-12-22)20-7-8-21-18-34(28(35)24(21)17-20)26-6-4-5-25(32-26)27-31-15-16-33(27)23-13-14-23;31-24-20-13-19(28-11-2-3-17(14-28)25(32)33)7-6-16(20)15-30(24)22-5-1-4-21(27-22)23-26-10-12-29(23)18-8-9-18;1-17-9-12-28(13-10-17)20-6-5-18-16-30(25(31)21(18)15-20)23-4-2-3-22(27-23)24-26-11-14-29(24)19-7-8-19;2*1-16(2)27-13-12-25-23(27)21-8-5-9-22(26-21)28-15-19-11-10-18(14-20(19)24(28)29)17-6-3-4-7-17;3*2-1-3/h4-12,15-17,23H,13-14,18H2,1-3H3;1,4-7,10,12-13,17-18H,2-3,8-9,11,14-15H2,(H,32,33);2-6,11,14-15,17,19H,7-10,12-13,16H2,1H3;2*5,8-14,16-17H,3-4,6-7,15H2,1-2H3;;;.
What are the key properties of 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?
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 has a molecular weight of 2254.64 g/mol, XLogP of 22.91, 23 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157393735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).