4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile

C105H118F2N18O6 — CID 162096832

About 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile (PubChem CID 162096832) has the molecular formula C105H118F2N18O6 and a molecular weight of 1766.21 g/mol. Its IUPAC name is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile
• PubChem CID: 162096832
• Molecular Formula: C105H118F2N18O6
• Molecular Weight: 1766.21 g/mol
• Exact Mass: 1764.94
• IUPAC Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile
• SMILES: C#CC(C)(C)c1ccc(-c2cn(CC3(C)CCOCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C#N)nc3)cn(CC3(C)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3(C)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(CC3(C)CCOCC3)c2c1
• InChI: InChI=1S/C30H33N3O2.C26H27N5O.C25H29F2N5O2.C24H29N5O/c1-7-29(4,5)24-10-8-22(9-11-24)25-18-33(19-30(6)12-14-34-15-13-30)26-16-23(17-31-28(25)26)27-20(2)32-35-21(27)3;1-17-24(18(2)32-30-17)20-11-23-25(29-14-20)22(19-7-8-21(12-27)28-13-19)15-31(23)16-26(3)9-5-4-6-10-26;1-16-22(17(2)34-30-16)18-9-21-23(28-10-18)20(19-11-29-32(12-19)15-25(4,26)27)13-31(21)14-24(3)5-7-33-8-6-24;1-16-22(17(2)30-27-16)18-10-21-23(25-11-18)20(19-12-26-28(4)13-19)14-29(21)15-24(3)8-6-5-7-9-24/h1,8-11,16-18H,12-15,19H2,2-6H3;7-8,11,13-15H,4-6,9-10,16H2,1-3H3;9-13H,5-8,14-15H2,1-4H3;10-14H,5-9,15H2,1-4H3
• InChIKey: ZEIYQTLBMFTLEQ-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 266.18 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.21
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile?

The IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile (CID 162096832) is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile?

The canonical SMILES for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile is C#CC(C)(C)c1ccc(-c2cn(CC3(C)CCOCC3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1noc(C)c1-c1cnc2c(-c3ccc(C#N)nc3)cn(CC3(C)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3(C)CCCCC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(CC3(C)CCOCC3)c2c1.

What is the InChIKey of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile?

The InChIKey is ZEIYQTLBMFTLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2.C26H27N5O.C25H29F2N5O2.C24H29N5O/c1-7-29(4,5)24-10-8-22(9-11-24)25-18-33(19-30(6)12-14-34-15-13-30)26-16-23(17-31-28(25)26)27-20(2)32-35-21(27)3;1-17-24(18(2)32-30-17)20-11-23-25(29-14-20)22(19-7-8-21(12-27)28-13-19)15-31(23)16-26(3)9-5-4-6-10-26;1-16-22(17(2)34-30-16)18-9-21-23(28-10-18)20(19-11-29-32(12-19)15-25(4,26)27)13-31(21)14-24(3)5-7-33-8-6-24;1-16-22(17(2)30-27-16)18-10-21-23(25-11-18)20(19-12-26-28(4)13-19)14-29(21)15-24(3)8-6-5-7-9-24/h1,8-11,16-18H,12-15,19H2,2-6H3;7-8,11,13-15H,4-6,9-10,16H2,1-3H3;9-13H,5-8,14-15H2,1-4H3;10-14H,5-9,15H2,1-4H3.

What are the key properties of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile?

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile has a molecular weight of 1766.21 g/mol, XLogP of 24.24, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-[4-(2-methylbut-3-yn-2-yl)phenyl]-1-[(4-methyloxan-4-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-[(1-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 162096832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).