4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile

C27H18ClF2N5O4 — CID 159028433

About 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile

4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (PubChem CID 159028433) has the molecular formula C27H18ClF2N5O4 and a molecular weight of 549.92 g/mol. Its IUPAC name is 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
• PubChem CID: 159028433
• Molecular Formula: C27H18ClF2N5O4
• Molecular Weight: 549.92 g/mol
• Exact Mass: 549.10
• IUPAC Name: 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
• SMILES: N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Cc2ccc3nccn3c2)cc1OC(F)F
• InChI: InChI=1S/C27H18ClF2N5O4/c28-18-3-2-17(11-31)20(8-18)21-10-26(37)35(14-24(21)39-27(29)30)22(9-19-12-32-15-38-19)23(36)7-16-1-4-25-33-5-6-34(25)13-16/h1-6,8,10,12-15,22,27H,7,9H2
• InChIKey: JUOLLLCNMXZNQG-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 115.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.92
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?

The IUPAC name of 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (CID 159028433) is 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.

What is the SMILES notation for 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?

The canonical SMILES for 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Cc2ccc3nccn3c2)cc1OC(F)F.

What is the InChIKey of 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?

The InChIKey is JUOLLLCNMXZNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF2N5O4/c28-18-3-2-17(11-31)20(8-18)21-10-26(37)35(14-24(21)39-27(29)30)22(9-19-12-32-15-38-19)23(36)7-16-1-4-25-33-5-6-34(25)13-16/h1-6,8,10,12-15,22,27H,7,9H2.

What are the key properties of 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?

4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile has a molecular weight of 549.92 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[5-(difluoromethoxy)-1-[4-imidazo[1,2-a]pyridin-6-yl-1-(1,3-oxazol-5-yl)-3-oxobutan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is sourced from PubChem (CID 159028433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).