4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate

C159H173Cl2N49O25 — CID 157328061

IUPAC4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
SMILESCNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(-c4ccccc4)c3)c2n1.Cc1noc(C)c1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1cccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1nccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.NC(=O)c1ccccc1-c1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.Nc1nc(-c2ccco2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H24ClN7O3.C24H27N7O2.C23H25N7O5.C23H25N7O4.C22H24N8O4.C22H22N6O5.C21H26ClN7O2/c25-23-30-20(26)19-22(31-23)32(14-29-19)10-3-4-11-35-24(34)28-13-15-6-5-7-16(12-15)17-8-1-2-9-18(17)21(27)33;1-26-23-29-21(25)20-22(30-23)31(16-28-20)12-5-6-13-33-24(32)27-15-17-8-7-11-19(14-17)18-9-3-2-4-10-18;1-13-18(14(2)35-29-13)21-27-20(24)19-22(28-21)30(11-26-19)7-3-4-8-32-23(31)25-10-15-5-6-16-17(9-15)34-12-33-16;1-29-8-4-5-16(29)21-27-20(24)19-22(28-21)30(13-26-19)9-2-3-10-32-23(31)25-12-15-6-7-17-18(11-15)34-14-33-17;1-29-15(6-7-26-29)20-27-19(23)18-21(28-20)30(12-25-18)8-2-3-9-32-22(31)24-11-14-4-5-16-17(10-14)34-13-33-16;23-19-18-21(27-20(26-19)16-4-3-9-30-16)28(12-25-18)7-1-2-8-31-22(29)24-11-14-5-6-15-17(10-14)33-13-32-15;22-20-26-18(23)17-19(27-20)29(14-25-17)10-3-4-11-31-21(30)24-13-15-6-5-7-16(12-15)28-8-1-2-9-28/h1-2,5-9,12,14H,3-4,10-11,13H2,(H2,27,33)(H,28,34)(H2,26,30,31);2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,27,32)(H3,25,26,29,30);5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,25,31)(H2,24,27,28);4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,25,31)(H2,24,27,28);4-7,10,12H,2-3,8-9,11,13H2,1H3,(H,24,31)(H2,23,27,28);3-6,9-10,12H,1-2,7-8,11,13H2,(H,24,29)(H2,23,26,27);5-7,12,14H,1-4,8-11,13H2,(H,24,30)(H2,23,26,27)
InChIKeyBEYPVQCUABKGHS-UHFFFAOYSA-N
MW3241.36 g/mol
LogP22.04
Rot. Bonds58

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate (PubChem CID 157328061) has the molecular formula C159H173Cl2N49O25 and a molecular weight of 3241.36 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate.

Molecular Properties

Compound Name4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
PubChem CID157328061
Molecular FormulaC159H173Cl2N49O25
Molecular Weight3241.36 g/mol
Exact Mass3238.31
IUPAC Name4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate
SMILESCNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(-c4ccccc4)c3)c2n1.Cc1noc(C)c1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1cccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1nccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.NC(=O)c1ccccc1-c1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.Nc1nc(-c2ccco2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H24ClN7O3.C24H27N7O2.C23H25N7O5.C23H25N7O4.C22H24N8O4.C22H22N6O5.C21H26ClN7O2/c25-23-30-20(26)19-22(31-23)32(14-29-19)10-3-4-11-35-24(34)28-13-15-6-5-7-16(12-15)17-8-1-2-9-18(17)21(27)33;1-26-23-29-21(25)20-22(30-23)31(16-28-20)12-5-6-13-33-24(32)27-15-17-8-7-11-19(14-17)18-9-3-2-4-10-18;1-13-18(14(2)35-29-13)21-27-20(24)19-22(28-21)30(11-26-19)7-3-4-8-32-23(31)25-10-15-5-6-16-17(9-15)34-12-33-16;1-29-8-4-5-16(29)21-27-20(24)19-22(28-21)30(13-26-19)9-2-3-10-32-23(31)25-12-15-6-7-17-18(11-15)34-14-33-17;1-29-15(6-7-26-29)20-27-19(23)18-21(28-20)30(12-25-18)8-2-3-9-32-22(31)24-11-14-4-5-16-17(10-14)34-13-33-16;23-19-18-21(27-20(26-19)16-4-3-9-30-16)28(12-25-18)7-1-2-8-31-22(29)24-11-14-5-6-15-17(10-14)33-13-32-15;22-20-26-18(23)17-19(27-20)29(14-25-17)10-3-4-11-31-21(30)24-13-15-6-5-7-16(12-15)28-8-1-2-9-28/h1-2,5-9,12,14H,3-4,10-11,13H2,(H2,27,33)(H,28,34)(H2,26,30,31);2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,27,32)(H3,25,26,29,30);5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,25,31)(H2,24,27,28);4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,25,31)(H2,24,27,28);4-7,10,12H,2-3,8-9,11,13H2,1H3,(H,24,31)(H2,23,27,28);3-6,9-10,12H,1-2,7-8,11,13H2,(H,24,29)(H2,23,26,27);5-7,12,14H,1-4,8-11,13H2,(H,24,30)(H2,23,26,27)
InChIKeyBEYPVQCUABKGHS-UHFFFAOYSA-N
XLogP22.04
TPSA949.77 Ų
H-Bond Donors16
H-Bond Acceptors66
Rotatable Bonds58
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.36
LogP ≤ 522.04
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1066

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-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate with MolForge

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Related Compounds

7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 157701282
CID 157861040
CID 157861040
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921661
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azanium;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921662
CID 157952170
CID 157952170
CID 158394736
CID 158394736
7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-benzyl-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 158747116
5-(1,3-benzodioxol-5-yl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-(1-benzylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1,2-oxazole-3-carboxamide;N-(1-benzylpyrazol-4-yl)-5-(3-methyl-4-pyridinyl)-1,2-oxazole-3-carboxamide;5-(2-fluorophenyl)-N-[1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-pyridin-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 158812635
7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159445263
CID 159551513
CID 159551513
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylethyl)-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;3-(1-methylpyrazol-4-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;(3S)-1-phenyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 159631426
1-benzyl-5-methylimidazole;1,4-dimethylpiperidine;ethane;2-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;1-methylbenzotriazole;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-2,3-dihydro-1-benzofuran;2-methyl-2,3-dihydrofuro[2,3-b]pyridine;2-methylfuran;tris(3-methylfuran);2-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;4-methylmorpholine;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyloxolane;2-methyl-5-phenylfuran;2-methylpyrazine;2-methylquinoxaline;5-methyl-1,2,4-thiadiazole;pyrazine;pyridazine;pyridine;pyrimidine
CID 157366026

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?
The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate (CID 157328061) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate.
What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?
The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate is CNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(-c4ccccc4)c3)c2n1.Cc1noc(C)c1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1cccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.Cn1nccc1-c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.NC(=O)c1ccccc1-c1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1.Nc1nc(-c2ccco2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?
The InChIKey is BEYPVQCUABKGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O3.C24H27N7O2.C23H25N7O5.C23H25N7O4.C22H24N8O4.C22H22N6O5.C21H26ClN7O2/c25-23-30-20(26)19-22(31-23)32(14-29-19)10-3-4-11-35-24(34)28-13-15-6-5-7-16(12-15)17-8-1-2-9-18(17)21(27)33;1-26-23-29-21(25)20-22(30-23)31(16-28-20)12-5-6-13-33-24(32)27-15-17-8-7-11-19(14-17)18-9-3-2-4-10-18;1-13-18(14(2)35-29-13)21-27-20(24)19-22(28-21)30(11-26-19)7-3-4-8-32-23(31)25-10-15-5-6-16-17(9-15)34-12-33-16;1-29-8-4-5-16(29)21-27-20(24)19-22(28-21)30(13-26-19)9-2-3-10-32-23(31)25-12-15-6-7-17-18(11-15)34-14-33-17;1-29-15(6-7-26-29)20-27-19(23)18-21(28-20)30(12-25-18)8-2-3-9-32-22(31)24-11-14-4-5-16-17(10-14)34-13-33-16;23-19-18-21(27-20(26-19)16-4-3-9-30-16)28(12-25-18)7-1-2-8-31-22(29)24-11-14-5-6-15-17(10-14)33-13-32-15;22-20-26-18(23)17-19(27-20)29(14-25-17)10-3-4-11-31-21(30)24-13-15-6-5-7-16(12-15)28-8-1-2-9-28/h1-2,5-9,12,14H,3-4,10-11,13H2,(H2,27,33)(H,28,34)(H2,26,30,31);2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,27,32)(H3,25,26,29,30);5-6,9,11H,3-4,7-8,10,12H2,1-2H3,(H,25,31)(H2,24,27,28);4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,25,31)(H2,24,27,28);4-7,10,12H,2-3,8-9,11,13H2,1H3,(H,24,31)(H2,23,27,28);3-6,9-10,12H,1-2,7-8,11,13H2,(H,24,29)(H2,23,26,27);5-7,12,14H,1-4,8-11,13H2,(H,24,30)(H2,23,26,27).
What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate?
4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate has a molecular weight of 3241.36 g/mol, XLogP of 22.04, 58 rotatable bonds, 16 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-carbamoylphenyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-pyrrolidin-1-ylphenyl)methyl]carbamate;4-[6-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(furan-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[(3-phenylphenyl)methyl]carbamate;4-[6-amino-2-(2-methylpyrazol-3-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(1-methylpyrrol-2-yl)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate is sourced from PubChem (CID 157328061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).