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

C109H85N27O8 — CID 163558024

About 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one (PubChem CID 163558024) has the molecular formula C109H85N27O8 and a molecular weight of 1901.06 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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one
• PubChem CID: 163558024
• Molecular Formula: C109H85N27O8
• Molecular Weight: 1901.06 g/mol
• Exact Mass: 1899.71
• IUPAC Name: 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)no5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)no5)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)no5)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)no5)cc4)[nH]c23)cn1
• InChI: InChI=1S/C29H23N5O2.2C27H21N7O2.C26H20N8O2/c1-19-17-34(18-31-19)29-25-16-27(32-26(25)11-12-30-29)22-9-7-20(8-10-22)13-23(35)14-24-15-28(33-36-24)21-5-3-2-4-6-21;1-17-15-34(16-30-17)27-25-23(8-11-29-27)31-26(32-25)20-4-2-18(3-5-20)12-21(35)13-22-14-24(33-36-22)19-6-9-28-10-7-19;1-17-14-34(16-31-17)27-23-13-24(32-26(23)29-15-30-27)19-4-2-18(3-5-19)10-21(35)11-22-12-25(33-36-22)20-6-8-28-9-7-20;1-16-13-34(15-30-16)26-23-25(28-14-29-26)32-24(31-23)19-4-2-17(3-5-19)10-20(35)11-21-12-22(33-36-21)18-6-8-27-9-7-18/h2-12,15-18,32H,13-14H2,1H3;2-11,14-16H,12-13H2,1H3,(H,31,32);2-9,12-16H,10-11H2,1H3,(H,29,30,32);2-9,12-15H,10-11H2,1H3,(H,28,29,31,32)
• InChIKey: FOTUSCWZWXNJQQ-UHFFFAOYSA-N
• XLogP: 18.70
• TPSA: 448.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.06
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one (CID 163558024) is 1-[4-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(3-pyridin-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one is Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccccc6)no5)cc4)cc23)cn1.Cc1cn(-c2nccc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)no5)cc4)nc23)cn1.Cc1cn(-c2ncnc3[nH]c(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)no5)cc4)cc23)cn1.Cc1cn(-c2ncnc3nc(-c4ccc(CC(=O)Cc5cc(-c6ccncc6)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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one?

The InChIKey is FOTUSCWZWXNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2.2C27H21N7O2.C26H20N8O2/c1-19-17-34(18-31-19)29-25-16-27(32-26(25)11-12-30-29)22-9-7-20(8-10-22)13-23(35)14-24-15-28(33-36-24)21-5-3-2-4-6-21;1-17-15-34(16-30-17)27-25-23(8-11-29-27)31-26(32-25)20-4-2-18(3-5-20)12-21(35)13-22-14-24(33-36-22)19-6-9-28-10-7-19;1-17-14-34(16-31-17)27-23-13-24(32-26(23)29-15-30-27)19-4-2-18(3-5-19)10-21(35)11-22-12-25(33-36-22)20-6-8-28-9-7-20;1-16-13-34(15-30-16)26-23-25(28-14-29-26)32-24(31-23)19-4-2-17(3-5-19)10-20(35)11-21-12-22(33-36-21)18-6-8-27-9-7-18/h2-12,15-18,32H,13-14H2,1H3;2-11,14-16H,12-13H2,1H3,(H,31,32);2-9,12-16H,10-11H2,1H3,(H,29,30,32);2-9,12-15H,10-11H2,1H3,(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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 1901.06 g/mol, XLogP of 18.70, 28 rotatable bonds, 4 hydrogen bond donors, and 31 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-4-yl-1,2-oxazol-5-yl)propan-2-one;1-[4-[6-(4-methylimidazol-1-yl)-7H-purin-8-yl]phenyl]-3-(3-pyridin-4-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-phenyl-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-4-yl-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 163558024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).