1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane

C156H164FN35O13S2 — CID 158133993

IUPAC1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane
SMILESC.C.C.C.C.C.C.CC(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccc(CNC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)cc1.COc1cccc(CC(=O)Nc2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccccc1CNC(=O)c1cccc2c1ccn2-c1ccnc(N)n1.CS(=O)(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.C[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4F)cccc32)n1.S
InChIInChI=1S/C23H21N5O2.C22H21N5O3S.3C21H19N5O2.C21H19N5O.C20H16FN5O.7CH4.H2S/c1-15(29)26-17-5-2-4-16(14-17)8-9-21(30)19-6-3-7-20-18(19)11-13-28(20)22-10-12-25-23(24)27-22;1-31(29,30)26-16-5-2-4-15(14-16)8-9-20(28)18-6-3-7-19-17(18)11-13-27(19)21-10-12-24-22(23)25-21;1-28-15-5-2-4-14(12-15)13-20(27)24-17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;1-28-18-8-3-2-5-14(18)13-24-20(27)16-6-4-7-17-15(16)10-12-26(17)19-9-11-23-21(22)25-19;1-28-15-7-5-14(6-8-15)13-24-20(27)17-3-2-4-18-16(17)10-12-26(18)19-9-11-23-21(22)25-19;1-14(15-6-3-2-4-7-15)24-20(27)17-8-5-9-18-16(17)11-13-26(18)19-10-12-23-21(22)25-19;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;;;;;;;;/h2-7,10-14H,8-9H2,1H3,(H,26,29)(H2,24,25,27);2-7,10-14,26H,8-9H2,1H3,(H2,23,24,25);3*2-12H,13H2,1H3,(H,24,27)(H2,22,23,25);2-14H,1H3,(H,24,27)(H2,22,23,25);1-11H,12H2,(H,24,27)(H2,22,23,25);7*1H4;1H2/t;;;;;14-;;;;;;;;;/m.....0........./s1
InChIKeyFTCVRRXTRPCGJI-RVNOXXSOSA-N
MW2820.39 g/mol
LogP27.17
Rot. Bonds36

About 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane

1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane (PubChem CID 158133993) has the molecular formula C156H164FN35O13S2 and a molecular weight of 2820.39 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane
PubChem CID158133993
Molecular FormulaC156H164FN35O13S2
Molecular Weight2820.39 g/mol
Exact Mass2818.27
IUPAC Name1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane
SMILESC.C.C.C.C.C.C.CC(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccc(CNC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)cc1.COc1cccc(CC(=O)Nc2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccccc1CNC(=O)c1cccc2c1ccn2-c1ccnc(N)n1.CS(=O)(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.C[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4F)cccc32)n1.S
InChIInChI=1S/C23H21N5O2.C22H21N5O3S.3C21H19N5O2.C21H19N5O.C20H16FN5O.7CH4.H2S/c1-15(29)26-17-5-2-4-16(14-17)8-9-21(30)19-6-3-7-20-18(19)11-13-28(20)22-10-12-25-23(24)27-22;1-31(29,30)26-16-5-2-4-15(14-16)8-9-20(28)18-6-3-7-19-17(18)11-13-27(19)21-10-12-24-22(23)25-21;1-28-15-5-2-4-14(12-15)13-20(27)24-17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;1-28-18-8-3-2-5-14(18)13-24-20(27)16-6-4-7-17-15(16)10-12-26(17)19-9-11-23-21(22)25-19;1-28-15-7-5-14(6-8-15)13-24-20(27)17-3-2-4-18-16(17)10-12-26(18)19-9-11-23-21(22)25-19;1-14(15-6-3-2-4-7-15)24-20(27)17-8-5-9-18-16(17)11-13-26(18)19-10-12-23-21(22)25-19;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;;;;;;;;/h2-7,10-14H,8-9H2,1H3,(H,26,29)(H2,24,25,27);2-7,10-14,26H,8-9H2,1H3,(H2,23,24,25);3*2-12H,13H2,1H3,(H,24,27)(H2,22,23,25);2-14H,1H3,(H,24,27)(H2,22,23,25);1-11H,12H2,(H,24,27)(H2,22,23,25);7*1H4;1H2/t;;;;;14-;;;;;;;;;/m.....0........./s1
InChIKeyFTCVRRXTRPCGJI-RVNOXXSOSA-N
XLogP27.17
TPSA679.71 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.39
LogP ≤ 527.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane with MolForge

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Related Compounds

N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
1-(2-acetamidopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;N-[[3-[acetyl(methyl)amino]phenyl]methyl]-1-(2-aminopyrimidin-4-yl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-ethoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]indole-4-carboxamide;3-[(2-aminopyrimidin-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide;1-(2-aminopyrimidin-4-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(2-phenylphenyl)methyl]indole-4-carboxamide;methane
CID 157754650
CID 157813314
CID 157813314
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;3-isoquinolin-8-yloxy-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-piperazin-1-ylphenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 157900413
N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 158116429
1-[2-[3-(4-Cyclohexylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-methoxyindole-3-carboxamide;1-[5-fluoro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide;1-[5-fluoro-2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide;1-[5-fluoro-2-[3-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 158212220
6-[3-Carbazol-9-yl-5-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-carbazol-9-yl-5-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine;bis(9-(3-carbazol-9-yl-5-dibenzofuran-1-ylphenyl)-3-dibenzofuran-1-ylcarbazole);3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 158474695
1-(2-aminopyrimidin-4-yl)-N-[(2-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-chlorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-fluorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-(1-phenylethyl)indole-4-carboxamide
CID 158575781
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methoxy-2-methylbenzamide;N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide;N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide;N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-methoxy-2-methylbenzamide;N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-methoxy-2-methylbenzamide;N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylbutanamide
CID 158606958
N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158878226
1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide
CID 159034742
2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
CID 159320758

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane (CID 158133993) is 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane is C.C.C.C.C.C.C.CC(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccc(CNC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)cc1.COc1cccc(CC(=O)Nc2cccc3c2ccn3-c2ccnc(N)n2)c1.COc1ccccc1CNC(=O)c1cccc2c1ccn2-c1ccnc(N)n1.CS(=O)(=O)Nc1cccc(CCC(=O)c2cccc3c2ccn3-c2ccnc(N)n2)c1.C[C@H](NC(=O)c1cccc2c1ccn2-c1ccnc(N)n1)c1ccccc1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4F)cccc32)n1.S.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane?
The InChIKey is FTCVRRXTRPCGJI-RVNOXXSOSA-N. The full InChI is InChI=1S/C23H21N5O2.C22H21N5O3S.3C21H19N5O2.C21H19N5O.C20H16FN5O.7CH4.H2S/c1-15(29)26-17-5-2-4-16(14-17)8-9-21(30)19-6-3-7-20-18(19)11-13-28(20)22-10-12-25-23(24)27-22;1-31(29,30)26-16-5-2-4-15(14-16)8-9-20(28)18-6-3-7-19-17(18)11-13-27(19)21-10-12-24-22(23)25-21;1-28-15-5-2-4-14(12-15)13-20(27)24-17-6-3-7-18-16(17)9-11-26(18)19-8-10-23-21(22)25-19;1-28-18-8-3-2-5-14(18)13-24-20(27)16-6-4-7-17-15(16)10-12-26(17)19-9-11-23-21(22)25-19;1-28-15-7-5-14(6-8-15)13-24-20(27)17-3-2-4-18-16(17)10-12-26(18)19-9-11-23-21(22)25-19;1-14(15-6-3-2-4-7-15)24-20(27)17-8-5-9-18-16(17)11-13-26(18)19-10-12-23-21(22)25-19;21-16-6-2-1-4-13(16)12-24-19(27)15-5-3-7-17-14(15)9-11-26(17)18-8-10-23-20(22)25-18;;;;;;;;/h2-7,10-14H,8-9H2,1H3,(H,26,29)(H2,24,25,27);2-7,10-14,26H,8-9H2,1H3,(H2,23,24,25);3*2-12H,13H2,1H3,(H,24,27)(H2,22,23,25);2-14H,1H3,(H,24,27)(H2,22,23,25);1-11H,12H2,(H,24,27)(H2,22,23,25);7*1H4;1H2/t;;;;;14-;;;;;;;;;/m.....0........./s1.
What are the key properties of 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane?
1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane has a molecular weight of 2820.39 g/mol, XLogP of 27.17, 36 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]indole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-2-(3-methoxyphenyl)acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]acetamide;N-[3-[3-[1-(2-aminopyrimidin-4-yl)indol-4-yl]-3-oxopropyl]phenyl]methanesulfonamide;1-(2-aminopyrimidin-4-yl)-N-[(2-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-[(1S)-1-phenylethyl]indole-4-carboxamide;methane;sulfane is sourced from PubChem (CID 158133993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).