4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

C98H93F2N21O5 — CID 160690239

About 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole

4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 160690239) has the molecular formula C98H93F2N21O5 and a molecular weight of 1684.97 g/mol. Its IUPAC name is 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• PubChem CID: 160690239
• Molecular Formula: C98H93F2N21O5
• Molecular Weight: 1684.97 g/mol
• Exact Mass: 1683.78
• IUPAC Name: 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3cc(C(C)(F)F)[nH]n3)cn(C(C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C4CC4)c3)cn(C(C)c3ccccc3)c2c1.[2H]C([2H])(O)C(c1ccccc1)n1cc(-c2cnn(C)c2)c2ncc(-c3c(C)noc3C)cc21
• InChI: InChI=1S/C26H25N5O.C25H23F2N5O.C24H23N5O2.C23H22N6O/c1-16-25(18(3)32-29-16)20-11-24-26(27-12-20)23(21-13-28-31(14-21)22-9-10-22)15-30(24)17(2)19-7-5-4-6-8-19;1-14-23(16(3)33-31-14)18-10-21-24(28-12-18)19(20-11-22(30-29-20)25(4,26)27)13-32(21)15(2)17-8-6-5-7-9-17;1-15-23(16(2)31-27-15)18-9-21-24(25-10-18)20(19-11-26-28(3)12-19)13-29(21)22(14-30)17-7-5-4-6-8-17;1-14-22(16(3)30-27-14)17-9-21-23(25-10-17)19(18-11-26-28(4)12-18)13-29(21)15(2)20-7-5-6-8-24-20/h4-8,11-15,17,22H,9-10H2,1-3H3;5-13,15H,1-4H3,(H,29,30);4-13,22,30H,14H2,1-3H3;5-13,15H,1-4H3/i;;14D2
• InChIKey: RPHSGWOMJQQRIH-SOVMGWCXSA-N
• XLogP: 21.54
• TPSA: 290.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.97
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole (CID 160690239) is 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole.

What is the SMILES notation for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The canonical SMILES for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3cc(C(C)(F)F)[nH]n3)cn(C(C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C4CC4)c3)cn(C(C)c3ccccc3)c2c1.[2H]C([2H])(O)C(c1ccccc1)n1cc(-c2cnn(C)c2)c2ncc(-c3c(C)noc3C)cc21.

What is the InChIKey of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

The InChIKey is RPHSGWOMJQQRIH-SOVMGWCXSA-N. The full InChI is InChI=1S/C26H25N5O.C25H23F2N5O.C24H23N5O2.C23H22N6O/c1-16-25(18(3)32-29-16)20-11-24-26(27-12-20)23(21-13-28-31(14-21)22-9-10-22)15-30(24)17(2)19-7-5-4-6-8-19;1-14-23(16(3)33-31-14)18-10-21-24(28-12-18)19(20-11-22(30-29-20)25(4,26)27)13-32(21)15(2)17-8-6-5-7-9-17;1-15-23(16(2)31-27-15)18-9-21-24(25-10-18)20(19-11-26-28(3)12-19)13-29(21)22(14-30)17-7-5-4-6-8-17;1-14-22(16(3)30-27-14)17-9-21-23(25-10-17)19(18-11-26-28(4)12-18)13-29(21)15(2)20-7-5-6-8-24-20/h4-8,11-15,17,22H,9-10H2,1-3H3;5-13,15H,1-4H3,(H,29,30);4-13,22,30H,14H2,1-3H3;5-13,15H,1-4H3/i;;14D2;.

What are the key properties of 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole?

4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 1684.97 g/mol, XLogP of 21.54, 19 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1-cyclopropylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,1-dideuterio-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylethanol;4-[3-[5-(1,1-difluoroethyl)-1H-pyrazol-3-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 160690239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).