1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one

C198H166N50O7 — CID 157271294

IUPAC1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one
SMILESCc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)nc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)[nH]c23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)[nH]c23)cn1
InChIInChI=1S/2C29H25N7O.C29H24N6O.C28H24N8O.2C28H23N7O.C27H22N8O/c1-19-16-36(18-32-19)29-25-15-26(33-28(25)30-17-31-29)22-10-8-20(9-11-22)12-24(37)13-23-14-27(34-35(23)2)21-6-4-3-5-7-21;1-19-17-36(18-31-19)29-27-25(12-13-30-29)32-28(33-27)22-10-8-20(9-11-22)14-24(37)15-23-16-26(34-35(23)2)21-6-4-3-5-7-21;1-19-17-35(18-31-19)29-25-16-27(32-26(25)11-12-30-29)22-9-7-20(8-10-22)13-24(36)14-23-15-28(34-33-23)21-5-3-2-4-6-21;1-18-15-36(17-31-18)28-25-27(29-16-30-28)33-26(32-25)21-10-8-19(9-11-21)12-23(37)13-22-14-24(34-35(22)2)20-6-4-3-5-7-20;1-18-15-35(17-31-18)28-24-14-25(32-27(24)29-16-30-28)21-9-7-19(8-10-21)11-23(36)12-22-13-26(34-33-22)20-5-3-2-4-6-20;1-18-16-35(17-30-18)28-26-24(11-12-29-28)31-27(32-26)21-9-7-19(8-10-21)13-23(36)14-22-15-25(34-33-22)20-5-3-2-4-6-20;1-17-14-35(16-30-17)27-24-26(28-15-29-27)32-25(31-24)20-9-7-18(8-10-20)11-22(36)12-21-13-23(34-33-21)19-5-3-2-4-6-19/h3-11,14-18H,12-13H2,1-2H3,(H,30,31,33);3-13,16-18H,14-15H2,1-2H3,(H,32,33);2-12,15-18,32H,13-14H2,1H3,(H,33,34);3-11,14-17H,12-13H2,1-2H3,(H,29,30,32,33);2-10,13-17H,11-12H2,1H3,(H,33,34)(H,29,30,32);2-12,15-17H,13-14H2,1H3,(H,31,32)(H,33,34);2-10,13-16H,11-12H2,1H3,(H,33,34)(H,28,29,31,32)
InChIKeyAYOLVBTYZXQBMF-UHFFFAOYSA-N
MW3357.85 g/mol
LogP33.47
Rot. Bonds49

About 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one

1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one (PubChem CID 157271294) has the molecular formula C198H166N50O7 and a molecular weight of 3357.85 g/mol. Its IUPAC name is 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one
PubChem CID157271294
Molecular FormulaC198H166N50O7
Molecular Weight3357.85 g/mol
Exact Mass3355.42
IUPAC Name1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one
SMILESCc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)nc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)[nH]c23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)[nH]c23)cn1
InChIInChI=1S/2C29H25N7O.C29H24N6O.C28H24N8O.2C28H23N7O.C27H22N8O/c1-19-16-36(18-32-19)29-25-15-26(33-28(25)30-17-31-29)22-10-8-20(9-11-22)12-24(37)13-23-14-27(34-35(23)2)21-6-4-3-5-7-21;1-19-17-36(18-31-19)29-27-25(12-13-30-29)32-28(33-27)22-10-8-20(9-11-22)14-24(37)15-23-16-26(34-35(23)2)21-6-4-3-5-7-21;1-19-17-35(18-31-19)29-25-16-27(32-26(25)11-12-30-29)22-9-7-20(8-10-22)13-24(36)14-23-15-28(34-33-23)21-5-3-2-4-6-21;1-18-15-36(17-31-18)28-25-27(29-16-30-28)33-26(32-25)21-10-8-19(9-11-21)12-23(37)13-22-14-24(34-35(22)2)20-6-4-3-5-7-20;1-18-15-35(17-31-18)28-24-14-25(32-27(24)29-16-30-28)21-9-7-19(8-10-21)11-23(36)12-22-13-26(34-33-22)20-5-3-2-4-6-20;1-18-16-35(17-30-18)28-26-24(11-12-29-28)31-27(32-26)21-9-7-19(8-10-21)13-23(36)14-22-15-25(34-33-22)20-5-3-2-4-6-20;1-17-14-35(16-30-17)27-24-26(28-15-29-27)32-25(31-24)20-9-7-18(8-10-20)11-22(36)12-21-13-23(34-33-21)19-5-3-2-4-6-19/h3-11,14-18H,12-13H2,1-2H3,(H,30,31,33);3-13,16-18H,14-15H2,1-2H3,(H,32,33);2-12,15-18,32H,13-14H2,1H3,(H,33,34);3-11,14-17H,12-13H2,1-2H3,(H,29,30,32,33);2-10,13-17H,11-12H2,1H3,(H,33,34)(H,29,30,32);2-12,15-17H,13-14H2,1H3,(H,31,32)(H,33,34);2-10,13-16H,11-12H2,1H3,(H,33,34)(H,28,29,31,32)
InChIKeyAYOLVBTYZXQBMF-UHFFFAOYSA-N
XLogP33.47
TPSA716.29 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003357.85
LogP ≤ 533.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one with MolForge

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Related Compounds

N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136943957
N-[5-[4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136943987
N-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136946903
N-[5-[4-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137102025
N-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137102070
N-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137102080
N-[5-[4-fluoro-3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137102192
N-[5-[3-[4-(4-fluorophenyl)-6,7-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-2-methylpropanamide
CID 137138729
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-2-methylpropanamide
CID 137156192
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
3-[4-(4,4-difluoropiperidin-1-yl)-1H-benzimidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;5-(1-methylpyrazol-4-yl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 145032809

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one (CID 157271294) is 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one is Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)nc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)cc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)n[nH]5)cc4)[nH]c23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)nn5C)cc4)[nH]c23)cn1.
What is the InChIKey of 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one?
The InChIKey is AYOLVBTYZXQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H25N7O.C29H24N6O.C28H24N8O.2C28H23N7O.C27H22N8O/c1-19-16-36(18-32-19)29-25-15-26(33-28(25)30-17-31-29)22-10-8-20(9-11-22)12-24(37)13-23-14-27(34-35(23)2)21-6-4-3-5-7-21;1-19-17-36(18-31-19)29-27-25(12-13-30-29)32-28(33-27)22-10-8-20(9-11-22)14-24(37)15-23-16-26(34-35(23)2)21-6-4-3-5-7-21;1-19-17-35(18-31-19)29-25-16-27(32-26(25)11-12-30-29)22-9-7-20(8-10-22)13-24(36)14-23-15-28(34-33-23)21-5-3-2-4-6-21;1-18-15-36(17-31-18)28-25-27(29-16-30-28)33-26(32-25)21-10-8-19(9-11-21)12-23(37)13-22-14-24(34-35(22)2)20-6-4-3-5-7-20;1-18-15-35(17-31-18)28-24-14-25(32-27(24)29-16-30-28)21-9-7-19(8-10-21)11-23(36)12-22-13-26(34-33-22)20-5-3-2-4-6-20;1-18-16-35(17-30-18)28-26-24(11-12-29-28)31-27(32-26)21-9-7-19(8-10-21)13-23(36)14-22-15-25(34-33-22)20-5-3-2-4-6-20;1-17-14-35(16-30-17)27-24-26(28-15-29-27)32-25(31-24)20-9-7-18(8-10-20)11-22(36)12-21-13-23(34-33-21)19-5-3-2-4-6-19/h3-11,14-18H,12-13H2,1-2H3,(H,30,31,33);3-13,16-18H,14-15H2,1-2H3,(H,32,33);2-12,15-18,32H,13-14H2,1H3,(H,33,34);3-11,14-17H,12-13H2,1-2H3,(H,29,30,32,33);2-10,13-17H,11-12H2,1H3,(H,33,34)(H,29,30,32);2-12,15-17H,13-14H2,1H3,(H,31,32)(H,33,34);2-10,13-16H,11-12H2,1H3,(H,33,34)(H,28,29,31,32).
What are the key properties of 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one?
1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one has a molecular weight of 3357.85 g/mol, XLogP of 33.47, 49 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(1-methyl-3-phenylpyrazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-phenyl-1H-pyrazol-5-yl)propan-2-one is sourced from PubChem (CID 157271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).