2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

C128H137F4N35O16 — CID 159833477

IUPAC2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESCOc1cccc2c1c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C26H26F3N7O3.C26H29N7O4.C26H29N7O3.C25H26FN7O3.C25H27N7O3/c1-13-2-5-17-16(8-13)15-4-3-14(26(27,28)29)9-18(15)35(17)7-6-31-10-19-21(37)22(38)25(39-19)36-12-34-20-23(30)32-11-33-24(20)36;1-14-6-7-15-17(10-14)32(16-4-3-5-18(36-2)20(15)16)9-8-28-11-19-22(34)23(35)26(37-19)33-13-31-21-24(27)29-12-30-25(21)33;1-14-4-6-18-17(9-14)16-5-3-15(2)10-19(16)32(18)8-7-28-11-20-22(34)23(35)26(36-20)33-13-31-21-24(27)29-12-30-25(21)33;1-13-2-5-17-16(8-13)15-4-3-14(26)9-18(15)32(17)7-6-28-10-19-21(34)22(35)25(36-19)33-12-31-20-23(27)29-11-30-24(20)33;1-14-6-7-18-16(10-14)15-4-2-3-5-17(15)31(18)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32/h2-5,8-9,11-12,19,21-22,25,31,37-38H,6-7,10H2,1H3,(H2,30,32,33);3-7,10,12-13,19,22-23,26,28,34-35H,8-9,11H2,1-2H3,(H2,27,29,30);3-6,9-10,12-13,20,22-23,26,28,34-35H,7-8,11H2,1-2H3,(H2,27,29,30);2-5,8-9,11-12,19,21-22,25,28,34-35H,6-7,10H2,1H3,(H2,27,29,30);2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29)
InChIKeyNNTDIDKFWULXJX-UHFFFAOYSA-N
MW2497.72 g/mol
LogP10.14
Rot. Bonds31

About 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (PubChem CID 159833477) has the molecular formula C128H137F4N35O16 and a molecular weight of 2497.72 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
PubChem CID159833477
Molecular FormulaC128H137F4N35O16
Molecular Weight2497.72 g/mol
Exact Mass2496.09
IUPAC Name2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESCOc1cccc2c1c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C26H26F3N7O3.C26H29N7O4.C26H29N7O3.C25H26FN7O3.C25H27N7O3/c1-13-2-5-17-16(8-13)15-4-3-14(26(27,28)29)9-18(15)35(17)7-6-31-10-19-21(37)22(38)25(39-19)36-12-34-20-23(30)32-11-33-24(20)36;1-14-6-7-15-17(10-14)32(16-4-3-5-18(36-2)20(15)16)9-8-28-11-19-22(34)23(35)26(37-19)33-13-31-21-24(27)29-12-30-25(21)33;1-14-4-6-18-17(9-14)16-5-3-15(2)10-19(16)32(18)8-7-28-11-20-22(34)23(35)26(36-20)33-13-31-21-24(27)29-12-30-25(21)33;1-13-2-5-17-16(8-13)15-4-3-14(26)9-18(15)32(17)7-6-28-10-19-21(34)22(35)25(36-19)33-12-31-20-23(27)29-11-30-24(20)33;1-14-6-7-18-16(10-14)15-4-2-3-5-17(15)31(18)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32/h2-5,8-9,11-12,19,21-22,25,31,37-38H,6-7,10H2,1H3,(H2,30,32,33);3-7,10,12-13,19,22-23,26,28,34-35H,8-9,11H2,1-2H3,(H2,27,29,30);3-6,9-10,12-13,20,22-23,26,28,34-35H,7-8,11H2,1-2H3,(H2,27,29,30);2-5,8-9,11-12,19,21-22,25,28,34-35H,6-7,10H2,1H3,(H2,27,29,30);2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29)
InChIKeyNNTDIDKFWULXJX-UHFFFAOYSA-N
XLogP10.14
TPSA690.58 Ų
H-Bond Donors20
H-Bond Acceptors51
Rotatable Bonds31
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.72
LogP ≤ 510.14
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol with MolForge

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Related Compounds

2-(6-Aminopurin-9-yl)-5-[[2-[5-methoxy-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460178
4-(6-Aminopurin-9-yl)-2-[[2-[5-methoxy-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139447932
4-(6-Aminopurin-9-yl)-2-[[2-[2-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-8-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-(trifluoromethyl)carbazol-3-yl]methyl]carbazol-3-yl]methoxy]-7-methylcarbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139448107
bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
CID 157246702
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-3H-indol-2-yl)ethyl]cyclobutyl]-ethylamino]methyl]oxolane-3,4-diol;bis((2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol);(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-[5-chloro-6-(1,1-difluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]cyclopentan-1-ol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
CID 157315086
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-3H-indol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-3H-indol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentan-1-ol
CID 157635950
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
2-(hydroxymethyl)-5-[6-[4-(trifluoromethoxy)anilino]purin-9-yl]oxolane-3,4-diol;7-methyl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine;9-methyl-N-[4-(trifluoromethoxy)phenyl]purin-6-amine;9-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethoxy)phenyl]purin-6-amine
CID 158068770
bis((2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(4,6-difluoro-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(6-methyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(4,5,6-trifluoro-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]butyl]amino]methyl]oxolane-3,4-diol
CID 158308871
2-[Difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[[3-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;2-[[2-(dimethylamino)-4-pyridinyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158745312
(2S,3S,4R,5R)-2-[difluoro-(4-fluorophenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[1-(difluoromethyl)benzimidazol-5-yl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[2-(dimethylamino)-4-pyridinyl]-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-hydroxy-[3-(trifluoromethyl)phenyl]methyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 158745313
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 158788602

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (CID 159833477) is 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is COc1cccc2c1c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(C)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccc(F)cc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The InChIKey is NNTDIDKFWULXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O3.C26H29N7O4.C26H29N7O3.C25H26FN7O3.C25H27N7O3/c1-13-2-5-17-16(8-13)15-4-3-14(26(27,28)29)9-18(15)35(17)7-6-31-10-19-21(37)22(38)25(39-19)36-12-34-20-23(30)32-11-33-24(20)36;1-14-6-7-15-17(10-14)32(16-4-3-5-18(36-2)20(15)16)9-8-28-11-19-22(34)23(35)26(37-19)33-13-31-21-24(27)29-12-30-25(21)33;1-14-4-6-18-17(9-14)16-5-3-15(2)10-19(16)32(18)8-7-28-11-20-22(34)23(35)26(36-20)33-13-31-21-24(27)29-12-30-25(21)33;1-13-2-5-17-16(8-13)15-4-3-14(26)9-18(15)32(17)7-6-28-10-19-21(34)22(35)25(36-19)33-12-31-20-23(27)29-11-30-24(20)33;1-14-6-7-18-16(10-14)15-4-2-3-5-17(15)31(18)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32/h2-5,8-9,11-12,19,21-22,25,31,37-38H,6-7,10H2,1H3,(H2,30,32,33);3-7,10,12-13,19,22-23,26,28,34-35H,8-9,11H2,1-2H3,(H2,27,29,30);3-6,9-10,12-13,20,22-23,26,28,34-35H,7-8,11H2,1-2H3,(H2,27,29,30);2-5,8-9,11-12,19,21-22,25,28,34-35H,6-7,10H2,1H3,(H2,27,29,30);2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29).
What are the key properties of 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 2497.72 g/mol, XLogP of 10.14, 31 rotatable bonds, 20 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-[[2-(2,6-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(5-methoxy-2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 159833477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).