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

C108H84N28O8 — CID 159206480

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

1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one (PubChem CID 159206480) has the molecular formula C108H84N28O8 and a molecular weight of 1902.05 g/mol. Its IUPAC name is 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one
• PubChem CID: 159206480
• Molecular Formula: C108H84N28O8
• Molecular Weight: 1902.05 g/mol
• Exact Mass: 1900.70
• IUPAC Name: 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)[nH]c23)cn1
• InChI: InChI=1S/C28H22N6O2.2C27H21N7O2.C26H20N8O2/c1-18-16-34(17-31-18)28-24-14-26(32-25(24)8-10-30-28)20-6-4-19(5-7-20)11-22(35)12-23-13-27(33-36-23)21-3-2-9-29-15-21;1-17-15-34(16-30-17)27-25-23(8-10-29-27)31-26(32-25)19-6-4-18(5-7-19)11-21(35)12-22-13-24(33-36-22)20-3-2-9-28-14-20;1-17-14-34(16-31-17)27-23-12-24(32-26(23)29-15-30-27)19-6-4-18(5-7-19)9-21(35)10-22-11-25(33-36-22)20-3-2-8-28-13-20;1-16-13-34(15-30-16)26-23-25(28-14-29-26)32-24(31-23)18-6-4-17(5-7-18)9-20(35)10-21-11-22(33-36-21)19-3-2-8-27-12-19/h2-10,13-17,32H,11-12H2,1H3;2-10,13-16H,11-12H2,1H3,(H,31,32);2-8,11-16H,9-10H2,1H3,(H,29,30,32);2-8,11-15H,9-10H2,1H3,(H,28,29,31,32)
• InChIKey: KPYIUGBJMQPCMC-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 461.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.05
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one (CID 159206480) is 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one is Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6cccnc6)no5)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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?

The InChIKey is KPYIUGBJMQPCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2.2C27H21N7O2.C26H20N8O2/c1-18-16-34(17-31-18)28-24-14-26(32-25(24)8-10-30-28)20-6-4-19(5-7-20)11-22(35)12-23-13-27(33-36-23)21-3-2-9-29-15-21;1-17-15-34(16-30-17)27-25-23(8-10-29-27)31-26(32-25)19-6-4-18(5-7-19)11-21(35)12-22-13-24(33-36-22)20-3-2-9-28-14-20;1-17-14-34(16-31-17)27-23-12-24(32-26(23)29-15-30-27)19-6-4-18(5-7-19)9-21(35)10-22-11-25(33-36-22)20-3-2-8-28-13-20;1-16-13-34(15-30-16)26-23-25(28-14-29-26)32-24(31-23)18-6-4-17(5-7-18)9-20(35)10-21-11-22(33-36-21)19-3-2-8-27-12-19/h2-10,13-17,32H,11-12H2,1H3;2-10,13-16H,11-12H2,1H3,(H,31,32);2-8,11-16H,9-10H2,1H3,(H,29,30,32);2-8,11-15H,9-10H2,1H3,(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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one?

1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 1902.05 g/mol, XLogP of 18.09, 28 rotatable bonds, 4 hydrogen bond donors, and 32 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-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[4-(4-methylimidazol-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 159206480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).