1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one

C120H138N12O9 — CID 157313932

About 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one (PubChem CID 157313932) has the molecular formula C120H138N12O9 and a molecular weight of 1892.50 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one
• PubChem CID: 157313932
• Molecular Formula: C120H138N12O9
• Molecular Weight: 1892.50 g/mol
• Exact Mass: 1891.07
• IUPAC Name: 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one
• SMILES: CC(=O)C(C)(C)c1ccc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.CC(=O)C1(c2ccc(-c3cn(CC4(C)CCCCC4)c4cc(-c5c(C)noc5C)cnc34)cc2)CC1.CC(=O)Cc1ccc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COc1cc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)ccc1C(C)=O
• InChI: InChI=1S/C31H35N3O2.C31H37N3O2.C29H33N3O3.C29H33N3O2/c1-20-28(21(2)36-33-20)24-16-27-29(32-17-24)26(18-34(27)19-30(4)12-6-5-7-13-30)23-8-10-25(11-9-23)31(14-15-31)22(3)35;1-20-28(21(2)36-33-20)24-16-27-29(32-17-24)26(18-34(27)19-31(6)14-8-7-9-15-31)23-10-12-25(13-11-23)30(4,5)22(3)35;1-18-27(20(3)35-31-18)22-13-25-28(30-15-22)24(16-32(25)17-29(4)11-7-6-8-12-29)21-9-10-23(19(2)33)26(14-21)34-5;1-19(33)14-22-8-10-23(11-9-22)25-17-32(18-29(4)12-6-5-7-13-29)26-15-24(16-30-28(25)26)27-20(2)31-34-21(27)3/h8-11,16-18H,5-7,12-15,19H2,1-4H3;10-13,16-18H,7-9,14-15,19H2,1-6H3;9-10,13-16H,6-8,11-12,17H2,1-5H3;8-11,15-17H,5-7,12-14,18H2,1-4H3
• InChIKey: BDJDDLKOMJTFGF-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 252.91 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.50
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one?

The IUPAC name of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one (CID 157313932) is 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one.

What is the SMILES notation for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one?

The canonical SMILES for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one is CC(=O)C(C)(C)c1ccc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.CC(=O)C1(c2ccc(-c3cn(CC4(C)CCCCC4)c4cc(-c5c(C)noc5C)cnc34)cc2)CC1.CC(=O)Cc1ccc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.COc1cc(-c2cn(CC3(C)CCCCC3)c3cc(-c4c(C)noc4C)cnc23)ccc1C(C)=O.

What is the InChIKey of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one?

The InChIKey is BDJDDLKOMJTFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2.C31H37N3O2.C29H33N3O3.C29H33N3O2/c1-20-28(21(2)36-33-20)24-16-27-29(32-17-24)26(18-34(27)19-30(4)12-6-5-7-13-30)23-8-10-25(11-9-23)31(14-15-31)22(3)35;1-20-28(21(2)36-33-20)24-16-27-29(32-17-24)26(18-34(27)19-31(6)14-8-7-9-15-31)23-10-12-25(13-11-23)30(4,5)22(3)35;1-18-27(20(3)35-31-18)22-13-25-28(30-15-22)24(16-32(25)17-29(4)11-7-6-8-12-29)21-9-10-23(19(2)33)26(14-21)34-5;1-19(33)14-22-8-10-23(11-9-22)25-17-32(18-29(4)12-6-5-7-13-29)26-15-24(16-30-28(25)26)27-20(2)31-34-21(27)3/h8-11,16-18H,5-7,12-15,19H2,1-4H3;10-13,16-18H,7-9,14-15,19H2,1-6H3;9-10,13-16H,6-8,11-12,17H2,1-5H3;8-11,15-17H,5-7,12-14,18H2,1-4H3.

What are the key properties of 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one?

1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one has a molecular weight of 1892.50 g/mol, XLogP of 29.61, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methoxyphenyl]ethanone;1-[1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropyl]ethanone;3-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]-3-methylbutan-2-one;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]propan-2-one is sourced from PubChem (CID 157313932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).