4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C124H116F6N28O7 — CID 158557470

About 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158557470) has the molecular formula C124H116F6N28O7 and a molecular weight of 2224.47 g/mol. Its IUPAC name is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158557470
• Molecular Formula: C124H116F6N28O7
• Molecular Weight: 2224.47 g/mol
• Exact Mass: 2222.95
• IUPAC Name: 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C(C)F)c3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C(C)F)c3)cn([C@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@H](C)c3ccccn3)c2c1
• InChI: InChI=1S/C26H22N4O3.2C25H24F2N6O.2C24H23FN6O/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22;2*1-15-23(17(3)34-31-15)18-9-22-24(29-10-18)20(19-11-30-32(12-19)14-25(4,26)27)13-33(22)16(2)21-7-5-6-8-28-21;2*1-14-23(16(3)32-29-14)18-9-22-24(27-10-18)20(19-11-28-31(12-19)17(4)25)13-30(22)15(2)21-7-5-6-8-26-21/h4-14,16H,1-3H3,(H,31,32);2*5-13,16H,14H2,1-4H3;2*5-13,15,17H,1-4H3/t3*16-;2*15-,17?/m01010/s1
• InChIKey: HQLUWRHYKDEAIO-OMDIDUABSA-N
• XLogP: 28.67
• TPSA: 392.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.47
LogP ≤ 5	28.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 158557470) is 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C(C)F)c3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(C(C)F)c3)cn([C@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@@H](C)c3ccccn3)c2c1.Cc1noc(C)c1-c1cnc2c(-c3cnn(CC(C)(F)F)c3)cn([C@H](C)c3ccccn3)c2c1.

What is the InChIKey of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HQLUWRHYKDEAIO-OMDIDUABSA-N. The full InChI is InChI=1S/C26H22N4O3.2C25H24F2N6O.2C24H23FN6O/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22;2*1-15-23(17(3)34-31-15)18-9-22-24(29-10-18)20(19-11-30-32(12-19)14-25(4,26)27)13-33(22)16(2)21-7-5-6-8-28-21;2*1-14-23(16(3)32-29-14)18-9-22-24(27-10-18)20(19-11-28-31(12-19)17(4)25)13-30(22)15(2)21-7-5-6-8-26-21/h4-14,16H,1-3H3,(H,31,32);2*5-13,16H,14H2,1-4H3;2*5-13,15,17H,1-4H3/t3*16-;2*15-,17?/m01010/s1.

What are the key properties of 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?

4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2224.47 g/mol, XLogP of 28.67, 27 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(2,2-difluoropropyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[3-[1-(1-fluoroethyl)pyrazol-4-yl]-1-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158557470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).