4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

C123H129F8N25O5 — CID 161150336

About 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 161150336) has the molecular formula C123H129F8N25O5 and a molecular weight of 2195.58 g/mol. Its IUPAC name is 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• PubChem CID: 161150336
• Molecular Formula: C123H129F8N25O5
• Molecular Weight: 2195.58 g/mol
• Exact Mass: 2194.09
• IUPAC Name: 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn([C@@H](C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn([C@H](C)c3ccccc3)c2c1.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(C(F)F)c2)c2ncc(-c3c(C)noc3C)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(C3CC3)c2)c2ncc(-c3c(C)noc3C)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(CC(F)(F)F)c2)c2ncc(-c3c(C)noc3C)cc21
• InChI: InChI=1S/C26H30FN5O.C25H27F4N5O.C24H26F3N5O.2C24H23N5O/c1-16-24(17(2)33-30-16)19-10-23-25(28-11-19)22(20-12-29-32(14-20)21-4-5-21)15-31(23)13-18-6-8-26(3,27)9-7-18;1-15-22(16(2)35-32-15)18-8-21-23(30-9-18)20(19-10-31-34(12-19)14-25(27,28)29)13-33(21)11-17-4-6-24(3,26)7-5-17;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;2*1-15-23(17(3)30-27-15)19-10-22-24(25-11-19)21(20-12-26-28(4)13-20)14-29(22)16(2)18-8-6-5-7-9-18/h10-12,14-15,18,21H,4-9,13H2,1-3H3;8-10,12-13,17H,4-7,11,14H2,1-3H3;8-10,12-13,16,23H,4-7,11H2,1-3H3;2*5-14,16H,1-4H3/t;;;2*16-/m...10/s1/i13D2;2*11D2
• InChIKey: UOPCJQZXFYAEDS-XNIXUBTGSA-N
• XLogP: 30.20
• TPSA: 308.35 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.58
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (CID 161150336) is 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

What is the SMILES notation for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The canonical SMILES for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn([C@@H](C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn([C@H](C)c3ccccc3)c2c1.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(C(F)F)c2)c2ncc(-c3c(C)noc3C)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(C3CC3)c2)c2ncc(-c3c(C)noc3C)cc21.[2H]C([2H])(C1CCC(C)(F)CC1)n1cc(-c2cnn(CC(F)(F)F)c2)c2ncc(-c3c(C)noc3C)cc21.

What is the InChIKey of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The InChIKey is UOPCJQZXFYAEDS-XNIXUBTGSA-N. The full InChI is InChI=1S/C26H30FN5O.C25H27F4N5O.C24H26F3N5O.2C24H23N5O/c1-16-24(17(2)33-30-16)19-10-23-25(28-11-19)22(20-12-29-32(14-20)21-4-5-21)15-31(23)13-18-6-8-26(3,27)9-7-18;1-15-22(16(2)35-32-15)18-8-21-23(30-9-18)20(19-10-31-34(12-19)14-25(27,28)29)13-33(21)11-17-4-6-24(3,26)7-5-17;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;2*1-15-23(17(3)30-27-15)19-10-22-24(25-11-19)21(20-12-26-28(4)13-20)14-29(22)16(2)18-8-6-5-7-9-18/h10-12,14-15,18,21H,4-9,13H2,1-3H3;8-10,12-13,17H,4-7,11,14H2,1-3H3;8-10,12-13,16,23H,4-7,11H2,1-3H3;2*5-14,16H,1-4H3/t;;;2*16-/m...10/s1/i13D2;2*11D2;;.

What are the key properties of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 2195.58 g/mol, XLogP of 30.20, 23 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[dideuterio-(4-fluoro-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;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 161150336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).