2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol

C117H136ClN45O22 — CID 159838309

IUPAC2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol
SMILESCOc1ccc(CC(=O)NCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1.Nc1ncnc2c1ncn2C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNC(=O)Cc2ccc(Cl)cc2)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccccc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2cnc3ccncc32)C(O)C1O.Nc1ncnc2c1ncn2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C24H25N7O3.C21H28N6O4.C19H22N6O5.C18H19ClN6O4.C18H21N9O3.C17H21N11O3/c25-22-19-23(28-12-27-22)31(13-29-19)24-21(33)20(32)18(34-24)11-26-9-10-30-16-7-3-1-5-14(16)15-6-2-4-8-17(15)30;22-17-14-18(25-8-24-17)27(9-26-14)19-16(29)15(28)13(31-19)7-23-20(30)21-4-10-1-11(5-21)3-12(2-10)6-21;1-29-11-4-2-10(3-5-11)6-13(26)21-7-12-15(27)16(28)19(30-12)25-9-24-14-17(20)22-8-23-18(14)25;19-10-3-1-9(2-4-10)5-12(26)21-6-11-14(27)15(28)18(29-11)25-8-24-13-16(20)22-7-23-17(13)25;19-16-13-17(23-7-22-16)27(9-25-13)18-15(29)14(28)12(30-18)6-21-3-4-26-8-24-10-1-2-20-5-11(10)26;18-13-9-15(23-4-21-13)27(6-25-9)2-1-20-3-8-11(29)12(30)17(31-8)28-7-26-10-14(19)22-5-24-16(10)28/h1-8,12-13,18,20-21,24,26,32-33H,9-11H2,(H2,25,27,28);8-13,15-16,19,28-29H,1-7H2,(H,23,30)(H2,22,24,25);2-5,8-9,12,15-16,19,27-28H,6-7H2,1H3,(H,21,26)(H2,20,22,23);1-4,7-8,11,14-15,18,27-28H,5-6H2,(H,21,26)(H2,20,22,23);1-2,5,7-9,12,14-15,18,21,28-29H,3-4,6H2,(H2,19,22,23);4-8,11-12,17,20,29-30H,1-3H2,(H2,18,21,23)(H2,19,22,24)
InChIKeyNOJBGBJWTKHECO-UHFFFAOYSA-N
MW2560.12 g/mol
LogP-1.68
Rot. Bonds33

About 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol

2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol (PubChem CID 159838309) has the molecular formula C117H136ClN45O22 and a molecular weight of 2560.12 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol
PubChem CID159838309
Molecular FormulaC117H136ClN45O22
Molecular Weight2560.12 g/mol
Exact Mass2558.06
IUPAC Name2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol
SMILESCOc1ccc(CC(=O)NCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1.Nc1ncnc2c1ncn2C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNC(=O)Cc2ccc(Cl)cc2)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccccc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2cnc3ccncc32)C(O)C1O.Nc1ncnc2c1ncn2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C24H25N7O3.C21H28N6O4.C19H22N6O5.C18H19ClN6O4.C18H21N9O3.C17H21N11O3/c25-22-19-23(28-12-27-22)31(13-29-19)24-21(33)20(32)18(34-24)11-26-9-10-30-16-7-3-1-5-14(16)15-6-2-4-8-17(15)30;22-17-14-18(25-8-24-17)27(9-26-14)19-16(29)15(28)13(31-19)7-23-20(30)21-4-10-1-11(5-21)3-12(2-10)6-21;1-29-11-4-2-10(3-5-11)6-13(26)21-7-12-15(27)16(28)19(30-12)25-9-24-14-17(20)22-8-23-18(14)25;19-10-3-1-9(2-4-10)5-12(26)21-6-11-14(27)15(28)18(29-11)25-8-24-13-16(20)22-7-23-17(13)25;19-16-13-17(23-7-22-16)27(9-25-13)18-15(29)14(28)12(30-18)6-21-3-4-26-8-24-10-1-2-20-5-11(10)26;18-13-9-15(23-4-21-13)27(6-25-9)2-1-20-3-8-11(29)12(30)17(31-8)28-7-26-10-14(19)22-5-24-16(10)28/h1-8,12-13,18,20-21,24,26,32-33H,9-11H2,(H2,25,27,28);8-13,15-16,19,28-29H,1-7H2,(H,23,30)(H2,22,24,25);2-5,8-9,12,15-16,19,27-28H,6-7H2,1H3,(H,21,26)(H2,20,22,23);1-4,7-8,11,14-15,18,27-28H,5-6H2,(H,21,26)(H2,20,22,23);1-2,5,7-9,12,14-15,18,21,28-29H,3-4,6H2,(H2,19,22,23);4-8,11-12,17,20,29-30H,1-3H2,(H2,18,21,23)(H2,19,22,24)
InChIKeyNOJBGBJWTKHECO-UHFFFAOYSA-N
XLogP-1.68
TPSA953.74 Ų
H-Bond Donors25
H-Bond Acceptors64
Rotatable Bonds33
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002560.12
LogP ≤ 5-1.68
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol with MolForge

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Related Compounds

1-[(4S)-4-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-(benzylamino)pentyl]-3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]urea;1-[(4S)-4-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(3,5-dichlorophenyl)methylamino]pentyl]-3-(4-tert-butylphenyl)urea;1-[(4S)-4-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(2-hydroxyphenyl)methylamino]pentyl]-3-(4-tert-butylphenyl)urea;1-[(4S)-4-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-(1H-indol-7-ylmethylamino)pentyl]-3-(4-tert-butylphenyl)urea
CID 157390219
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 87992453
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]propyl]-3-(4-tert-butylphenyl)urea;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-N-(4-tert-butylphenyl)pentanamide;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-(2-aminophenoxy)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)-1-methylurea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-cyclohexylphenyl)urea
CID 157053713
(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(diethylamino)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-(4-methylpiperazin-1-yl)butan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-morpholin-4-ylbutan-2-ol;(2S)-4-[4-[(1S)-6-chloro-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-1-piperidin-1-ylbutan-2-ol;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-[(2-methoxyacetyl)amino]butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-(3-hydroxy-4-morpholin-4-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157161702
CID 157162720
CID 157162720
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[5-[(2R)-2-(dimethylamino)butoxy]pyrimidin-4-yl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3R,4R)-4-(dimethylamino)oxolan-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3R,4S)-4-(dimethylamino)oxolan-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
CID 157188488
(2S)-2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[(2S)-1-[[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide;5-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]pentyl formate
CID 157369266
6-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]-N-[(2S)-1-[[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide
CID 157369267
CID 157381958
CID 157381958
Ethyl 6-chloro-1-[4-(2,3-dihydroxypropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-(2,3-dihydroxypropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-(4-imidazol-1-ylbutoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propan-2-yl 6-chloro-1-[4-(2,3-dihydroxypropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;propyl 6-chloro-1-[4-(2,3-dihydroxypropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157672501
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]propyl]-3-(4-tert-butylphenyl)urea;1-[(2S)-4-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[4-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-methylbutan-2-yl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;7-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(3-chlorophenyl)urea
CID 157788271
N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]-3-(3-methylphenyl)propanamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]-3-(4-methylphenyl)propanamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide
CID 157867229

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol (CID 159838309) is 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol is COc1ccc(CC(=O)NCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1.Nc1ncnc2c1ncn2C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNC(=O)Cc2ccc(Cl)cc2)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccccc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2cnc3ccncc32)C(O)C1O.Nc1ncnc2c1ncn2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol?
The InChIKey is NOJBGBJWTKHECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3.C21H28N6O4.C19H22N6O5.C18H19ClN6O4.C18H21N9O3.C17H21N11O3/c25-22-19-23(28-12-27-22)31(13-29-19)24-21(33)20(32)18(34-24)11-26-9-10-30-16-7-3-1-5-14(16)15-6-2-4-8-17(15)30;22-17-14-18(25-8-24-17)27(9-26-14)19-16(29)15(28)13(31-19)7-23-20(30)21-4-10-1-11(5-21)3-12(2-10)6-21;1-29-11-4-2-10(3-5-11)6-13(26)21-7-12-15(27)16(28)19(30-12)25-9-24-14-17(20)22-8-23-18(14)25;19-10-3-1-9(2-4-10)5-12(26)21-6-11-14(27)15(28)18(29-11)25-8-24-13-16(20)22-7-23-17(13)25;19-16-13-17(23-7-22-16)27(9-25-13)18-15(29)14(28)12(30-18)6-21-3-4-26-8-24-10-1-2-20-5-11(10)26;18-13-9-15(23-4-21-13)27(6-25-9)2-1-20-3-8-11(29)12(30)17(31-8)28-7-26-10-14(19)22-5-24-16(10)28/h1-8,12-13,18,20-21,24,26,32-33H,9-11H2,(H2,25,27,28);8-13,15-16,19,28-29H,1-7H2,(H,23,30)(H2,22,24,25);2-5,8-9,12,15-16,19,27-28H,6-7H2,1H3,(H,21,26)(H2,20,22,23);1-4,7-8,11,14-15,18,27-28H,5-6H2,(H,21,26)(H2,20,22,23);1-2,5,7-9,12,14-15,18,21,28-29H,3-4,6H2,(H2,19,22,23);4-8,11-12,17,20,29-30H,1-3H2,(H2,18,21,23)(H2,19,22,24).
What are the key properties of 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol has a molecular weight of 2560.12 g/mol, XLogP of -1.68, 33 rotatable bonds, 25 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-[[2-(6-aminopurin-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-chlorophenyl)acetamide;N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide;2-(6-aminopurin-9-yl)-5-[(2-imidazo[4,5-c]pyridin-3-ylethylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 159838309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).