1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate

C123H123N17O9 — CID 157086669

About 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate

1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate (PubChem CID 157086669) has the molecular formula C123H123N17O9 and a molecular weight of 1983.45 g/mol. Its IUPAC name is 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate.

Molecular Properties

• Compound Name: 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate
• PubChem CID: 157086669
• Molecular Formula: C123H123N17O9
• Molecular Weight: 1983.45 g/mol
• Exact Mass: 1981.97
• IUPAC Name: 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate
• SMILES: CC(=O)Cc1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(=O)Cc1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(=O)c1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1ccc(-c2cn([C@@H](C)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cn1
• InChI: InChI=1S/C33H34N4O3.C33H34N4O2.C32H32N4O3.C25H23N5O/c1-21-31(22(2)40-36-21)26-18-29-32(35-19-26)27(24-14-12-23(13-15-24)17-30(38)39-3)20-37(29)33(25-9-5-4-6-10-25)28-11-7-8-16-34-28;1-21(38)17-24-12-14-25(15-13-24)28-20-37(33(26-9-5-4-6-10-26)29-11-7-8-16-34-29)30-18-27(19-35-32(28)30)31-22(2)36-39-23(31)3;1-20-29(21(2)39-35-20)25-17-28-30(34-18-25)26(22-12-14-24(15-13-22)32(37)38-3)19-36(28)31(23-9-5-4-6-10-23)27-11-7-8-16-33-27;1-15-8-9-19(12-27-15)21-14-30(17(3)22-7-5-6-10-26-22)23-11-20(13-28-25(21)23)24-16(2)29-31-18(24)4/h7-8,11-16,18-20,25,33H,4-6,9-10,17H2,1-3H3;7-8,11-16,18-20,26,33H,4-6,9-10,17H2,1-3H3;7-8,11-19,23,31H,4-6,9-10H2,1-3H3;5-14,17H,1-4H3/t;;;17-/m...0/s1
• InChIKey: AEDZNPDCVGEZED-NJYUFCOESA-N
• XLogP: 27.94
• TPSA: 309.52 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.45
LogP ≤ 5	27.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate?

The IUPAC name of 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate (CID 157086669) is 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate.

What is the SMILES notation for 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate?

The canonical SMILES for 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate is CC(=O)Cc1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(=O)Cc1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COC(=O)c1ccc(-c2cn(C(c3ccccn3)C3CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1ccc(-c2cn([C@@H](C)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cn1.

What is the InChIKey of 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate?

The InChIKey is AEDZNPDCVGEZED-NJYUFCOESA-N. The full InChI is InChI=1S/C33H34N4O3.C33H34N4O2.C32H32N4O3.C25H23N5O/c1-21-31(22(2)40-36-21)26-18-29-32(35-19-26)27(24-14-12-23(13-15-24)17-30(38)39-3)20-37(29)33(25-9-5-4-6-10-25)28-11-7-8-16-34-28;1-21(38)17-24-12-14-25(15-13-24)28-20-37(33(26-9-5-4-6-10-26)29-11-7-8-16-34-29)30-18-27(19-35-32(28)30)31-22(2)36-39-23(31)3;1-20-29(21(2)39-35-20)25-17-28-30(34-18-25)26(22-12-14-24(15-13-22)32(37)38-3)19-36(28)31(23-9-5-4-6-10-23)27-11-7-8-16-33-27;1-15-8-9-19(12-27-15)21-14-30(17(3)22-7-5-6-10-26-22)23-11-20(13-28-25(21)23)24-16(2)29-31-18(24)4/h7-8,11-16,18-20,25,33H,4-6,9-10,17H2,1-3H3;7-8,11-16,18-20,26,33H,4-6,9-10,17H2,1-3H3;7-8,11-19,23,31H,4-6,9-10H2,1-3H3;5-14,17H,1-4H3/t;;;17-/m...0/s1.

What are the key properties of 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate?

1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate has a molecular weight of 1983.45 g/mol, XLogP of 27.94, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one;3,5-dimethyl-4-[3-(6-methyl-3-pyridinyl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;methyl 4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate;methyl 2-[4-[1-[cyclohexyl(pyridin-2-yl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]acetate is sourced from PubChem (CID 157086669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).