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

C26H19ClN6O4 — CID 118054847

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide (PubChem CID 118054847) has the molecular formula C26H19ClN6O4 and a molecular weight of 514.93 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide
• PubChem CID: 118054847
• Molecular Formula: C26H19ClN6O4
• Molecular Weight: 514.93 g/mol
• Exact Mass: 514.12
• IUPAC Name: 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide
• SMILES: COc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
• InChI: InChI=1S/C26H19ClN6O4/c1-36-23-14-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-12-29-15-37-19)26(35)31-18-4-5-24-30-6-7-32(24)13-18/h2-8,10,12-15,22H,9H2,1H3,(H,31,35)
• InChIKey: SXEHENQWJCXCPF-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 127.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.93
LogP ≤ 5	4.11
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-methoxy-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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide (CID 118054847) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-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-methoxy-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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide is COc1cn(C(Cc2cnco2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N.

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

The InChIKey is SXEHENQWJCXCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN6O4/c1-36-23-14-33(25(34)10-21(23)20-8-17(27)3-2-16(20)11-28)22(9-19-12-29-15-37-19)26(35)31-18-4-5-24-30-6-7-32(24)13-18/h2-8,10,12-15,22H,9H2,1H3,(H,31,35).

What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide has a molecular weight of 514.93 g/mol, XLogP of 4.11, 7 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-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-(1,3-oxazol-5-yl)propanamide is sourced from PubChem (CID 118054847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).