N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C99H106F5N21O6 — CID 159516504

About N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 159516504) has the molecular formula C99H106F5N21O6 and a molecular weight of 1781.07 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 159516504
• Molecular Formula: C99H106F5N21O6
• Molecular Weight: 1781.07 g/mol
• Exact Mass: 1779.86
• IUPAC Name: N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cnn(C(F)F)c3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(=O)C3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3CCC(C)(F)CC3)c2c1
• InChI: InChI=1S/C27H26N6O2.C24H26F3N5O.C24H26FN5O2.C24H28FN5O/c1-16-24(17(2)35-31-16)19-11-23-25(28-12-19)22(20-13-29-32(3)14-20)15-33(23)26(18-7-5-4-6-8-18)27(34)30-21-9-10-21;1-14-21(15(2)33-30-14)17-8-20-22(28-9-17)19(18-10-29-32(12-18)23(25)26)13-31(20)11-16-4-6-24(3,27)7-5-16;1-14-21(15(2)32-28-14)17-9-20-22(26-10-17)19(18-11-27-29(4)12-18)13-30(20)23(31)16-5-7-24(3,25)8-6-16;1-15-22(16(2)31-28-15)18-9-21-23(26-10-18)20(19-11-27-29(4)13-19)14-30(21)12-17-5-7-24(3,25)8-6-17/h4-8,11-15,21,26H,9-10H2,1-3H3,(H,30,34);8-10,12-13,16,23H,4-7,11H2,1-3H3;9-13,16H,5-8H2,1-4H3;9-11,13-14,17H,5-8,12H2,1-4H3
• InChIKey: MBGNNTGXDQKFLC-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 292.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.07
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 159516504) is N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(C(F)F)c3)cn(CC3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(=O)C3CCC(C)(F)CC3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(CC3CCC(C)(F)CC3)c2c1.

What is the InChIKey of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is MBGNNTGXDQKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C24H26F3N5O.C24H26FN5O2.C24H28FN5O/c1-16-24(17(2)35-31-16)19-11-23-25(28-12-19)22(20-13-29-32(3)14-20)15-33(23)26(18-7-5-4-6-8-18)27(34)30-21-9-10-21;1-14-21(15(2)33-30-14)17-8-20-22(28-9-17)19(18-10-29-32(12-18)23(25)26)13-31(20)11-16-4-6-24(3,27)7-5-16;1-14-21(15(2)32-28-14)17-9-20-22(26-10-17)19(18-11-27-29(4)12-18)13-30(20)23(31)16-5-7-24(3,25)8-6-16;1-15-22(16(2)31-28-15)18-9-21-23(26-10-18)20(19-11-27-29(4)13-19)14-30(21)12-17-5-7-24(3,25)8-6-17/h4-8,11-15,21,26H,9-10H2,1-3H3,(H,30,34);8-10,12-13,16,23H,4-7,11H2,1-3H3;9-13,16H,5-8H2,1-4H3;9-11,13-14,17H,5-8,12H2,1-4H3.

What are the key properties of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1781.07 g/mol, XLogP of 21.96, 18 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide;4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-(4-fluoro-4-methylcyclohexyl)methanone;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 159516504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).