4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C100H96F2N20O4 — CID 160607818

About 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 160607818) has the molecular formula C100H96F2N20O4 and a molecular weight of 1680.00 g/mol. Its IUPAC name is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 160607818
• Molecular Formula: C100H96F2N20O4
• Molecular Weight: 1680.00 g/mol
• Exact Mass: 1678.79
• IUPAC Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: C=CCn1cc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1.CCn1cc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3cn[nH]c3)cn(C(C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(C(C)c3ccccc3)c2c1
• InChI: InChI=1S/C26H25F2N5O.C26H25N5O.C25H25N5O.C23H21N5O/c1-16-24(18(3)34-31-16)20-10-23-25(29-11-20)22(21-12-30-32(13-21)15-26(4,27)28)14-33(23)17(2)19-8-6-5-7-9-19;1-5-11-30-15-22(14-28-30)23-16-31(18(3)20-9-7-6-8-10-20)24-12-21(13-27-26(23)24)25-17(2)29-32-19(25)4;1-5-29-14-21(13-27-29)22-15-30(17(3)19-9-7-6-8-10-19)23-11-20(12-26-25(22)23)24-16(2)28-31-18(24)4;1-14-22(16(3)29-27-14)18-9-21-23(24-10-18)20(19-11-25-26-12-19)13-28(21)15(2)17-7-5-4-6-8-17/h5-14,17H,15H2,1-4H3;5-10,12-16,18H,1,11H2,2-4H3;6-15,17H,5H2,1-4H3;4-13,15H,1-3H3,(H,25,26)
• InChIKey: RFCNQSHWKDZPFW-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 257.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1680.00
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 160607818) is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is C=CCn1cc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1.CCn1cc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1.Cc1noc(C)c1-c1cnc2c(-c3cn[nH]c3)cn(C(C)c3ccccc3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn(C(C)c3ccccc3)c2c1.

What is the InChIKey of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is RFCNQSHWKDZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O.C26H25N5O.C25H25N5O.C23H21N5O/c1-16-24(18(3)34-31-16)20-10-23-25(29-11-20)22(21-12-30-32(13-21)15-26(4,27)28)14-33(23)17(2)19-8-6-5-7-9-19;1-5-11-30-15-22(14-28-30)23-16-31(18(3)20-9-7-6-8-10-20)24-12-21(13-27-26(23)24)25-17(2)29-32-19(25)4;1-5-29-14-21(13-27-29)22-15-30(17(3)19-9-7-6-8-10-19)23-11-20(12-26-25(22)23)24-16(2)28-31-18(24)4;1-14-22(16(3)29-27-14)18-9-21-23(24-10-18)20(19-11-25-26-12-19)13-28(21)15(2)17-7-5-4-6-8-17/h5-14,17H,15H2,1-4H3;5-10,12-16,18H,1,11H2,2-4H3;6-15,17H,5H2,1-4H3;4-13,15H,1-3H3,(H,25,26).

What are the key properties of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1680.00 g/mol, XLogP of 23.51, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1-prop-2-enylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[1-(1-phenylethyl)-3-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole;4-[3-(1-ethylpyrazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 160607818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).