4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C145H137F18N39O13 — CID 160529061

IUPAC4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Cc1ccccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.N#Cc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.N#Cc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Nc1nc(-c2ccncc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccoc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H22F3N7O2.2C25H25F3N6O2.C23H22F3N7O2.C22H21F3N6O3/c26-25(27,28)19-8-4-6-17(12-19)14-31-24(36)37-10-2-1-9-35-15-32-20-21(30)33-22(34-23(20)35)18-7-3-5-16(11-18)13-29;26-25(27,28)19-5-3-4-17(12-19)14-31-24(36)37-11-2-1-10-35-15-32-20-21(30)33-22(34-23(20)35)18-8-6-16(13-29)7-9-18;1-16-6-4-8-18(12-16)22-32-21(29)20-23(33-22)34(15-31-20)10-2-3-11-36-24(35)30-14-17-7-5-9-19(13-17)25(26,27)28;1-16-7-2-3-10-19(16)22-32-21(29)20-23(33-22)34(15-31-20)11-4-5-12-36-24(35)30-14-17-8-6-9-18(13-17)25(26,27)28;24-23(25,26)17-5-3-4-15(12-17)13-29-22(34)35-11-2-1-10-33-14-30-18-19(27)31-20(32-21(18)33)16-6-8-28-9-7-16;23-22(24,25)16-5-3-4-14(10-16)11-27-21(32)34-8-2-1-7-31-13-28-17-18(26)29-19(30-20(17)31)15-6-9-33-12-15/h3-8,11-12,15H,1-2,9-10,14H2,(H,31,36)(H2,30,33,34);3-9,12,15H,1-2,10-11,14H2,(H,31,36)(H2,30,33,34);4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,30,35)(H2,29,32,33);2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);3-9,12,14H,1-2,10-11,13H2,(H,29,34)(H2,27,31,32);3-6,9-10,12-13H,1-2,7-8,11H2,(H,27,32)(H2,26,29,30)
InChIKeyQVHGUROYXHFYST-UHFFFAOYSA-N
MW2975.91 g/mol
LogP28.15
Rot. Bonds48

About 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 160529061) has the molecular formula C145H137F18N39O13 and a molecular weight of 2975.91 g/mol. Its IUPAC name is 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID160529061
Molecular FormulaC145H137F18N39O13
Molecular Weight2975.91 g/mol
Exact Mass2974.10
IUPAC Name4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Cc1ccccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.N#Cc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.N#Cc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Nc1nc(-c2ccncc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccoc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H22F3N7O2.2C25H25F3N6O2.C23H22F3N7O2.C22H21F3N6O3/c26-25(27,28)19-8-4-6-17(12-19)14-31-24(36)37-10-2-1-9-35-15-32-20-21(30)33-22(34-23(20)35)18-7-3-5-16(11-18)13-29;26-25(27,28)19-5-3-4-17(12-19)14-31-24(36)37-11-2-1-10-35-15-32-20-21(30)33-22(34-23(20)35)18-8-6-16(13-29)7-9-18;1-16-6-4-8-18(12-16)22-32-21(29)20-23(33-22)34(15-31-20)10-2-3-11-36-24(35)30-14-17-7-5-9-19(13-17)25(26,27)28;1-16-7-2-3-10-19(16)22-32-21(29)20-23(33-22)34(15-31-20)11-4-5-12-36-24(35)30-14-17-8-6-9-18(13-17)25(26,27)28;24-23(25,26)17-5-3-4-15(12-17)13-29-22(34)35-11-2-1-10-33-14-30-18-19(27)31-20(32-21(18)33)16-6-8-28-9-7-16;23-22(24,25)16-5-3-4-14(10-16)11-27-21(32)34-8-2-1-7-31-13-28-17-18(26)29-19(30-20(17)31)15-6-9-33-12-15/h3-8,11-12,15H,1-2,9-10,14H2,(H,31,36)(H2,30,33,34);3-9,12,15H,1-2,10-11,14H2,(H,31,36)(H2,30,33,34);4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,30,35)(H2,29,32,33);2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);3-9,12,14H,1-2,10-11,13H2,(H,29,34)(H2,27,31,32);3-6,9-10,12-13H,1-2,7-8,11H2,(H,27,32)(H2,26,29,30)
InChIKeyQVHGUROYXHFYST-UHFFFAOYSA-N
XLogP28.15
TPSA721.31 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds48
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.91
LogP ≤ 528.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate with MolForge

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Related Compounds

2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 157123825
ethyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidine-1-carboxylate;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(4-fluorophenyl)-3-[3-(trifluoromethoxy)propyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158403835
Methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(fluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(methoxymethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-[(4-cyano-2-fluorophenyl)methoxy]pyrimidin-5-yl]-2,6-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2,6-difluoro-4-(2-phenylmethoxy-3-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 159099869
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(3-methoxyprop-1-ynyl)phenyl]-2-methyl-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-N-(4-pentoxyphenyl)-4-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159405648
12-(3,4-Difluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(furan-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-methylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 160564823
N-[3-[[2-(furan-3-yl)-7H-purin-6-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-pyridin-4-yl-7H-purin-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(2-pyridin-3-yl-7H-purin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide;N-[4-methyl-3-[(2-pyridin-4-yl-7H-purin-6-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 160630902
2-(2-cyclopropyloxy-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;methane;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[3-(trifluoromethyl)cyclobutyl]-3-pyridinyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160639655
7-[[4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[2-(dimethylamino)ethoxy]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-methoxybutan-2-yloxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pentan-3-yloxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160666621
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-[2-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]ethynyl]imidazo[1,2-a]pyridin-8-yl]carbamate;2-[4-[3-(diethylamino)propoxy]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 160919345
4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 161194793
2-[2-(cyclopropylmethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propoxy-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-oxa-5-azaspiro[3.4]octane-5-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161369828
4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 161964918

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 160529061) is 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is Cc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Cc1ccccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.N#Cc1ccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)cc1.N#Cc1cccc(-c2nc(N)c3ncn(CCCCOC(=O)NCc4cccc(C(F)(F)F)c4)c3n2)c1.Nc1nc(-c2ccncc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccoc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is QVHGUROYXHFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22F3N7O2.2C25H25F3N6O2.C23H22F3N7O2.C22H21F3N6O3/c26-25(27,28)19-8-4-6-17(12-19)14-31-24(36)37-10-2-1-9-35-15-32-20-21(30)33-22(34-23(20)35)18-7-3-5-16(11-18)13-29;26-25(27,28)19-5-3-4-17(12-19)14-31-24(36)37-11-2-1-10-35-15-32-20-21(30)33-22(34-23(20)35)18-8-6-16(13-29)7-9-18;1-16-6-4-8-18(12-16)22-32-21(29)20-23(33-22)34(15-31-20)10-2-3-11-36-24(35)30-14-17-7-5-9-19(13-17)25(26,27)28;1-16-7-2-3-10-19(16)22-32-21(29)20-23(33-22)34(15-31-20)11-4-5-12-36-24(35)30-14-17-8-6-9-18(13-17)25(26,27)28;24-23(25,26)17-5-3-4-15(12-17)13-29-22(34)35-11-2-1-10-33-14-30-18-19(27)31-20(32-21(18)33)16-6-8-28-9-7-16;23-22(24,25)16-5-3-4-14(10-16)11-27-21(32)34-8-2-1-7-31-13-28-17-18(26)29-19(30-20(17)31)15-6-9-33-12-15/h3-8,11-12,15H,1-2,9-10,14H2,(H,31,36)(H2,30,33,34);3-9,12,15H,1-2,10-11,14H2,(H,31,36)(H2,30,33,34);4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,30,35)(H2,29,32,33);2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,30,35)(H2,29,32,33);3-9,12,14H,1-2,10-11,13H2,(H,29,34)(H2,27,31,32);3-6,9-10,12-13H,1-2,7-8,11H2,(H,27,32)(H2,26,29,30).
What are the key properties of 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 2975.91 g/mol, XLogP of 28.15, 48 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(3-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-cyanophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(furan-3-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyridin-4-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 160529061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).