4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione

C100H88N30O11 — CID 160552222

IUPAC4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ncccn2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2noc(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C26H24N8O2.C26H22N8O2.C25H22N8O3.C23H20N6O4/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19;1-2-33-24-22(25(35)31-26(33)36)34(15-17-7-9-18(10-8-17)23-27-11-5-12-28-23)21(30-24)14-19-16-32-13-4-3-6-20(32)29-19;1-3-32-23-21(24(34)29-25(32)35)33(13-16-7-9-17(10-8-16)22-26-15(2)36-30-22)20(28-23)12-18-14-31-11-5-4-6-19(31)27-18;1-2-28-20-19(21(30)26-23(28)33)29(12-14-6-8-15(9-7-14)22(31)32)18(25-20)11-16-13-27-10-4-3-5-17(27)24-16/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36);3-13,16H,2,14-15H2,1H3,(H,31,35,36);4-11,14H,3,12-13H2,1-2H3,(H,29,34,35);3-10,13H,2,11-12H2,1H3,(H,31,32)(H,26,30,33)
InChIKeyQYFMWXYAENOCNS-UHFFFAOYSA-N
MW1886.00 g/mol
LogP9.69
Rot. Bonds24

About 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione

4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione (PubChem CID 160552222) has the molecular formula C100H88N30O11 and a molecular weight of 1886.00 g/mol. Its IUPAC name is 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione.

Molecular Properties

Compound Name4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione
PubChem CID160552222
Molecular FormulaC100H88N30O11
Molecular Weight1886.00 g/mol
Exact Mass1884.72
IUPAC Name4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ncccn2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2noc(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C26H24N8O2.C26H22N8O2.C25H22N8O3.C23H20N6O4/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19;1-2-33-24-22(25(35)31-26(33)36)34(15-17-7-9-18(10-8-17)23-27-11-5-12-28-23)21(30-24)14-19-16-32-13-4-3-6-20(32)29-19;1-3-32-23-21(24(34)29-25(32)35)33(13-16-7-9-17(10-8-16)22-26-15(2)36-30-22)20(28-23)12-18-14-31-11-5-4-6-19(31)27-18;1-2-28-20-19(21(30)26-23(28)33)29(12-14-6-8-15(9-7-14)22(31)32)18(25-20)11-16-13-27-10-4-3-5-17(27)24-16/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36);3-13,16H,2,14-15H2,1H3,(H,31,35,36);4-11,14H,3,12-13H2,1-2H3,(H,29,34,35);3-10,13H,2,11-12H2,1H3,(H,31,32)(H,26,30,33)
InChIKeyQYFMWXYAENOCNS-UHFFFAOYSA-N
XLogP9.69
TPSA479.74 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.00
LogP ≤ 59.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione with MolForge

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Related Compounds

3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1,3-thiazol-2-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]purine-2,6-dione
CID 157333701
4-[2-(3-But-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)ethyl]benzoic acid;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
CID 158096600
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;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158427900
(1S)-1-[[2-amino-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[2-carbamoyl-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 159124188
(1S)-1-[[2-amino-7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[2-carbamoyl-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 160698139
4-[[4-[7-[carboxy-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1H-pyrazol-5-yl]-phenylmethyl]-2,6-dioxo-1,3-dipropylpurin-8-yl]pyrazol-1-yl]methyl]benzoic acid
CID 68940629
N-[3-(dimethylamino)propyl]-3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzamide;N',N'-dimethylpropane-1,3-diamine;3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid
CID 157108653
2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
CID 157127238
5-[4-(Benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carboxylic acid;bis(methyl 1-[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carbonyl]pyrrolidine-2-carboxylate);methyl cyclopentanecarboxylate
CID 157181071
1-[(3-aminophenyl)methyl]-N-[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]pyrazole-4-carboxamide;tert-butyl N-[3-[(4-aminopyrazol-1-yl)methyl]phenyl]carbamate;tert-butyl N-[3-(bromomethyl)phenyl]carbamate;tert-butyl N-[3-[[4-[[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]carbamoyl]pyrazol-1-yl]methyl]phenyl]carbamate;tert-butyl N-[3-[(4-nitropyrazol-1-yl)methyl]phenyl]carbamate;ethanone;iron;(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxylic acid;4-nitro-1H-pyrazole;hydrate
CID 157228938
bis(2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide);5-[4-[1-cyclopropyl-1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 157313971
2-amino-1-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone;N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;pyridine-2-carboxylic acid
CID 157328046

Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione?
The IUPAC name of 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione (CID 160552222) is 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione.
What is the SMILES notation for 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione?
The canonical SMILES for 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ncccn2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2noc(C)n2)cc1.CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione?
The InChIKey is QYFMWXYAENOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2.C26H22N8O2.C25H22N8O3.C23H20N6O4/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19;1-2-33-24-22(25(35)31-26(33)36)34(15-17-7-9-18(10-8-17)23-27-11-5-12-28-23)21(30-24)14-19-16-32-13-4-3-6-20(32)29-19;1-3-32-23-21(24(34)29-25(32)35)33(13-16-7-9-17(10-8-16)22-26-15(2)36-30-22)20(28-23)12-18-14-31-11-5-4-6-19(31)27-18;1-2-28-20-19(21(30)26-23(28)33)29(12-14-6-8-15(9-7-14)22(31)32)18(25-20)11-16-13-27-10-4-3-5-17(27)24-16/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36);3-13,16H,2,14-15H2,1H3,(H,31,35,36);4-11,14H,3,12-13H2,1-2H3,(H,29,34,35);3-10,13H,2,11-12H2,1H3,(H,31,32)(H,26,30,33).
What are the key properties of 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione?
4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione has a molecular weight of 1886.00 g/mol, XLogP of 9.69, 24 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,6-dioxopurin-7-yl]methyl]benzoic acid;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione;3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[(4-pyrimidin-2-ylphenyl)methyl]purine-2,6-dione is sourced from PubChem (CID 160552222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).