3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C107H106BrF7IN25O5 — CID 157336049

About 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157336049) has the molecular formula C107H106BrF7IN25O5 and a molecular weight of 2161.99 g/mol. Its IUPAC name is 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 157336049
• Molecular Formula: C107H106BrF7IN25O5
• Molecular Weight: 2161.99 g/mol
• Exact Mass: 2159.69
• IUPAC Name: 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(CC3(F)CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(Br)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(I)cn(C(CC#N)C3CC3)c2c1
• InChI: InChI=1S/C25H26F5N5O.C24H24F2N6O.C22H22N6O.C18H17BrN4O.C18H17IN4O/c1-15-21(16(2)36-33-15)17-8-20-22(31-9-17)19(18-10-32-35(11-18)14-25(28,29)30)12-34(20)13-24(27)6-4-23(3,26)5-7-24;1-14-22(15(2)33-30-14)17-8-21-23(28-9-17)19(12-32(21)20(6-7-27)16-4-5-16)18-10-29-31(11-18)13-24(3,25)26;1-13-21(14(2)29-26-13)16-8-20-22(24-9-16)18(17-10-25-27(3)11-17)12-28(20)19(6-7-23)15-4-5-15;2*1-10-17(11(2)24-22-10)13-7-16-18(21-8-13)14(19)9-23(16)15(5-6-20)12-3-4-12/h8-12H,4-7,13-14H2,1-3H3;8-12,16,20H,4-6,13H2,1-3H3;8-12,15,19H,4-6H2,1-3H3;2*7-9,12,15H,3-5H2,1-2H3
• InChIKey: BFVRWCVONQHODR-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 367.87 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.99
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 157336049) is 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(F)(F)F)c3)cn(CC3(F)CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(Br)cn(C(CC#N)C3CC3)c2c1.Cc1noc(C)c1-c1cnc2c(I)cn(C(CC#N)C3CC3)c2c1.

What is the InChIKey of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is BFVRWCVONQHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F5N5O.C24H24F2N6O.C22H22N6O.C18H17BrN4O.C18H17IN4O/c1-15-21(16(2)36-33-15)17-8-20-22(31-9-17)19(18-10-32-35(11-18)14-25(28,29)30)12-34(20)13-24(27)6-4-23(3,26)5-7-24;1-14-22(15(2)33-30-14)17-8-21-23(28-9-17)19(12-32(21)20(6-7-27)16-4-5-16)18-10-29-31(11-18)13-24(3,25)26;1-13-21(14(2)29-26-13)16-8-20-22(24-9-16)18(17-10-25-27(3)11-17)12-28(20)19(6-7-23)15-4-5-15;2*1-10-17(11(2)24-22-10)13-7-16-18(21-8-13)14(19)9-23(16)15(5-6-20)12-3-4-12/h8-12H,4-7,13-14H2,1-3H3;8-12,16,20H,4-6,13H2,1-3H3;8-12,15,19H,4-6H2,1-3H3;2*7-9,12,15H,3-5H2,1-2H3.

What are the key properties of 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2161.99 g/mol, XLogP of 26.72, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-bromo-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-3-cyclopropylpropanenitrile;3-cyclopropyl-3-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]propanenitrile;3-cyclopropyl-3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]propanenitrile;4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157336049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).