1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate

C137H133N47O5 — CID 161448485

IUPAC1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate
SMILESCC(C)(C)n1c(-c2cc(C#N)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.Cc1ncn(-c2ncccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ncnn1-c1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C23H20N10.2C23H23N9.C23H21N7O2.C23H24N6O.C22H22N6O2/c1-23(2,3)33-19-5-4-15(16-10-28-22(25)29-11-16)7-18(19)31-21(33)17-6-14(8-24)9-27-20(17)32-13-26-12-30-32;1-14-28-13-31(30-14)20-17(6-5-9-25-20)21-29-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)32(21)23(2,3)4;1-14-28-13-29-32(14)20-17(6-5-9-25-20)21-30-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)31(21)23(2,3)4;1-23(2,3)30-18-8-5-13(14-11-26-22(25)27-12-14)9-17(18)29-20(30)19-16(21(31)32-4)7-6-15(10-24)28-19;1-5-19(30)16-7-6-10-25-20(16)21-28-17-11-14(15-12-26-22(24)27-13-15)8-9-18(17)29(21)23(2,3)4;1-22(2,3)28-17-8-7-13(14-11-25-21(23)26-12-14)10-16(17)27-19(28)18-15(20(29)30-4)6-5-9-24-18/h4-7,9-13H,1-3H3,(H2,25,28,29);2*5-13H,1-4H3,(H2,24,26,27);5-9,11-12H,1-4H3,(H2,25,26,27);6-13H,5H2,1-4H3,(H2,24,26,27);5-12H,1-4H3,(H2,23,25,26)
InChIKeyWAFCDTFSNQAXCY-UHFFFAOYSA-N
MW2517.89 g/mol
LogP22.62
Rot. Bonds19

About 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate

1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate (PubChem CID 161448485) has the molecular formula C137H133N47O5 and a molecular weight of 2517.89 g/mol. Its IUPAC name is 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate
PubChem CID161448485
Molecular FormulaC137H133N47O5
Molecular Weight2517.89 g/mol
Exact Mass2516.16
IUPAC Name1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate
SMILESCC(C)(C)n1c(-c2cc(C#N)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.Cc1ncn(-c2ncccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ncnn1-c1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C
InChIInChI=1S/C23H20N10.2C23H23N9.C23H21N7O2.C23H24N6O.C22H22N6O2/c1-23(2,3)33-19-5-4-15(16-10-28-22(25)29-11-16)7-18(19)31-21(33)17-6-14(8-24)9-27-20(17)32-13-26-12-30-32;1-14-28-13-31(30-14)20-17(6-5-9-25-20)21-29-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)32(21)23(2,3)4;1-14-28-13-29-32(14)20-17(6-5-9-25-20)21-30-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)31(21)23(2,3)4;1-23(2,3)30-18-8-5-13(14-11-26-22(25)27-12-14)9-17(18)29-20(30)19-16(21(31)32-4)7-6-15(10-24)28-19;1-5-19(30)16-7-6-10-25-20(16)21-28-17-11-14(15-12-26-22(24)27-13-15)8-9-18(17)29(21)23(2,3)4;1-22(2,3)28-17-8-7-13(14-11-25-21(23)26-12-14)10-16(17)27-19(28)18-15(20(29)30-4)6-5-9-24-18/h4-7,9-13H,1-3H3,(H2,25,28,29);2*5-13H,1-4H3,(H2,24,26,27);5-9,11-12H,1-4H3,(H2,25,26,27);6-13H,5H2,1-4H3,(H2,24,26,27);5-12H,1-4H3,(H2,23,25,26)
InChIKeyWAFCDTFSNQAXCY-UHFFFAOYSA-N
XLogP22.62
TPSA704.44 Ų
H-Bond Donors6
H-Bond Acceptors52
Rotatable Bonds19
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.89
LogP ≤ 522.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1052

Analyze 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[5-[4-(2-aminoethyl)anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanol;2-[3-[5-[4-(aminomethyl)anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]acetonitrile;3-(3-fluorophenyl)-N-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]triazolo[4,5-d]pyrimidin-5-amine;4-[[3-[3-(methoxymethyl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]-N,N-dimethylbenzamide;2-[3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanol
CID 157539700
5-[(4-Cyano-3-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-methoxyanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-(4-ethylanilino)-4-methyl-6-(methylamino)pyridine-3-carbonitrile;5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(3-methylanilino)pyridine-3-carbonitrile;bis(5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-(4-methylanilino)pyridine-3-carbonitrile);methyl 4-[[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]benzoate
CID 123964615
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-[2-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methylamino]benzoate
CID 132035360
Methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoyl-3-phenylpyrazol-5-yl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-phenylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-3-methyl-4-[(1-methyl-4-oxaldehydoyl-3-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-pyridin-2-ylpyrazole-4-carboxylate
CID 136621940
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-4-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;3-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;methyl 6-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]pyridine-3-carboxylate;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 157615919
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazole
CID 157743356
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-4-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;3-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;methyl 6-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]pyridine-3-carboxylate;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 157771316
CID 157903590
CID 157903590
1-(1-Methylindazol-5-yl)-3-propan-2-yl-1,3-diazinan-2-one;1-(1-methylindazol-5-yl)-3-propan-2-ylimidazolidin-2-one;3-(1-methylindazol-5-yl)-1-propan-2-ylpyridin-2-one;5-(1-methylindazol-5-yl)-1-propan-2-ylpyridin-2-one;1-methyl-5-(5-propan-2-yl-3-pyridinyl)benzimidazole;2-(1-methylpyrazol-4-yl)-4-propan-2-ylpyridine;3-(4-propan-2-yl-2-pyridinyl)benzamide;3-(4-propan-2-yl-2-pyridinyl)benzonitrile;5-(4-propan-2-yl-2-pyridinyl)pyridine-3-carboxamide;5-(4-propan-2-yl-2-pyridinyl)pyridine-3-carboxylic acid
CID 157989922
2-[9-(3,5-Diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-oxadiazole;2-[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 158135199
6-[5-(2-Aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-5-propanoylpyridine-2-carbonitrile;5-[2-[5-bromo-2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-(2-methylbutan-2-yl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-(6-methoxy-2-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[6-methyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine
CID 158172224
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole;1-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole
CID 158253026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate (CID 161448485) is 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate is CC(C)(C)n1c(-c2cc(C#N)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21.CCC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.Cc1ncn(-c2ncccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1.Cc1ncnn1-c1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.
What is the InChIKey of 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate?
The InChIKey is WAFCDTFSNQAXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N10.2C23H23N9.C23H21N7O2.C23H24N6O.C22H22N6O2/c1-23(2,3)33-19-5-4-15(16-10-28-22(25)29-11-16)7-18(19)31-21(33)17-6-14(8-24)9-27-20(17)32-13-26-12-30-32;1-14-28-13-31(30-14)20-17(6-5-9-25-20)21-29-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)32(21)23(2,3)4;1-14-28-13-29-32(14)20-17(6-5-9-25-20)21-30-18-10-15(16-11-26-22(24)27-12-16)7-8-19(18)31(21)23(2,3)4;1-23(2,3)30-18-8-5-13(14-11-26-22(25)27-12-14)9-17(18)29-20(30)19-16(21(31)32-4)7-6-15(10-24)28-19;1-5-19(30)16-7-6-10-25-20(16)21-28-17-11-14(15-12-26-22(24)27-13-15)8-9-18(17)29(21)23(2,3)4;1-22(2,3)28-17-8-7-13(14-11-25-21(23)26-12-14)10-16(17)27-19(28)18-15(20(29)30-4)6-5-9-24-18/h4-7,9-13H,1-3H3,(H2,25,28,29);2*5-13H,1-4H3,(H2,24,26,27);5-9,11-12H,1-4H3,(H2,25,26,27);6-13H,5H2,1-4H3,(H2,24,26,27);5-12H,1-4H3,(H2,23,25,26).
What are the key properties of 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate?
1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate has a molecular weight of 2517.89 g/mol, XLogP of 22.62, 19 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-3-pyridinyl]propan-1-one;5-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile;5-[1-tert-butyl-2-[2-(3-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;5-[1-tert-butyl-2-[2-(5-methyl-1,2,4-triazol-1-yl)-3-pyridinyl]benzimidazol-5-yl]pyrimidin-2-amine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]-6-cyanopyridine-3-carboxylate;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 161448485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).