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

C124H129F4N35O15 — CID 159305501

IUPAC2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESCc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2c1.Cc1cccc2c1c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(F)cc32)C(O)C1O
InChIInChI=1S/C25H24F3N7O3.3C25H27N7O3.C24H24FN7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35;1-14-5-4-8-17-19(14)15-6-2-3-7-16(15)31(17)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-20-23(26)28-12-29-24(20)32;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;1-14-6-7-16-15-4-2-3-5-17(15)31(18(16)10-14)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32;25-13-5-6-15-14-3-1-2-4-16(14)31(17(15)9-13)8-7-27-10-18-20(33)21(34)24(35-18)32-12-30-19-22(26)28-11-29-23(19)32/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32);2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29);2*2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29);1-6,9,11-12,18,20-21,24,27,33-34H,7-8,10H2,(H2,26,28,29)
InChIKeyLBWFMNRDJTVHCO-UHFFFAOYSA-N
MW2425.62 g/mol
LogP9.21
Rot. Bonds30

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

2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (PubChem CID 159305501) has the molecular formula C124H129F4N35O15 and a molecular weight of 2425.62 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
PubChem CID159305501
Molecular FormulaC124H129F4N35O15
Molecular Weight2425.62 g/mol
Exact Mass2424.03
IUPAC Name2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESCc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2c1.Cc1cccc2c1c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(F)cc32)C(O)C1O
InChIInChI=1S/C25H24F3N7O3.3C25H27N7O3.C24H24FN7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35;1-14-5-4-8-17-19(14)15-6-2-3-7-16(15)31(17)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-20-23(26)28-12-29-24(20)32;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;1-14-6-7-16-15-4-2-3-5-17(15)31(18(16)10-14)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32;25-13-5-6-15-14-3-1-2-4-16(14)31(17(15)9-13)8-7-27-10-18-20(33)21(34)24(35-18)32-12-30-19-22(26)28-11-29-23(19)32/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32);2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29);2*2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29);1-6,9,11-12,18,20-21,24,27,33-34H,7-8,10H2,(H2,26,28,29)
InChIKeyLBWFMNRDJTVHCO-UHFFFAOYSA-N
XLogP9.21
TPSA681.35 Ų
H-Bond Donors20
H-Bond Acceptors50
Rotatable Bonds30
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.62
LogP ≤ 59.21
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

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

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Related Compounds

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[4-[7-[2-(dimethylamino)ethylamino]-6-(6-fluoro-4-pyrimidin-2-yl-1H-indol-2-yl)-1-methylimidazo[4,5-c]pyridin-2-yl]pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 178255274
2-(6-Aminopurin-9-yl)-5-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134459921
4-(6-Aminopurin-9-yl)-2-[[2-[5-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460111
2-(6-Aminopurin-9-yl)-5-[[2-[2-tert-butyl-7-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460180
2-(6-Aminopurin-9-yl)-5-[[2-(2-fluoro-6-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
CID 134460182
2-(6-Aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460328
2-(6-Aminopurin-9-yl)-5-[[2-[5-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460339
4-(6-Aminopurin-9-yl)-2-[[2-[2-tert-butyl-7-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139447938
4-(6-Aminopurin-9-yl)-2-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139447942
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
9-[2-[2-[6-[2-[9-[2-[2-[(6-Aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-methylcarbazol-2-yl]-2-methylpropyl]-2-fluorocarbazol-9-yl]ethylamino]ethoxymethyl]purin-6-amine
CID 139448109
4-(6-Aminopurin-9-yl)-2-[[2-[6-methyl-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139448115

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (CID 159305501) is 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[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-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is Cc1ccc2c(c1)c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Cc1ccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2c1.Cc1cccc2c1c1ccccc1n2CCNCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(F)cc32)C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The InChIKey is LBWFMNRDJTVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3.3C25H27N7O3.C24H24FN7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35;1-14-5-4-8-17-19(14)15-6-2-3-7-16(15)31(17)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-20-23(26)28-12-29-24(20)32;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;1-14-6-7-16-15-4-2-3-5-17(15)31(18(16)10-14)9-8-27-11-19-21(33)22(34)25(35-19)32-13-30-20-23(26)28-12-29-24(20)32;25-13-5-6-15-14-3-1-2-4-16(14)31(17(15)9-13)8-7-27-10-18-20(33)21(34)24(35-18)32-12-30-19-22(26)28-11-29-23(19)32/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32);2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29);2*2-7,10,12-13,19,21-22,25,27,33-34H,8-9,11H2,1H3,(H2,26,28,29);1-6,9,11-12,18,20-21,24,27,33-34H,7-8,10H2,(H2,26,28,29).
What are the key properties of 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 2425.62 g/mol, XLogP of 9.21, 30 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(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-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 159305501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).