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

C26H17ClF2N6O4 — CID 118054783

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

2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide (PubChem CID 118054783) has the molecular formula C26H17ClF2N6O4 and a molecular weight of 550.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide
• PubChem CID: 118054783
• Molecular Formula: C26H17ClF2N6O4
• Molecular Weight: 550.91 g/mol
• Exact Mass: 550.10
• IUPAC Name: 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide
• SMILES: N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)cc1OC(F)F
• InChI: InChI=1S/C26H17ClF2N6O4/c27-16-2-1-15(10-30)19(7-16)20-9-24(36)35(13-22(20)39-26(28)29)21(8-18-11-31-14-38-18)25(37)33-17-3-4-23-32-5-6-34(23)12-17/h1-7,9,11-14,21,26H,8H2,(H,33,37)
• InChIKey: UWSQGCJZIBJSGU-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 127.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.91
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide (CID 118054783) is 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide.

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

The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide is N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)cc1OC(F)F.

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

The InChIKey is UWSQGCJZIBJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N6O4/c27-16-2-1-15(10-30)19(7-16)20-9-24(36)35(13-22(20)39-26(28)29)21(8-18-11-31-14-38-18)25(37)33-17-3-4-23-32-5-6-34(23)12-17/h1-7,9,11-14,21,26H,8H2,(H,33,37).

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

2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide has a molecular weight of 550.91 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide is sourced from PubChem (CID 118054783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).