ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate

C28H26ClN5O6 — CID 118054866

About ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 118054866) has the molecular formula C28H26ClN5O6 and a molecular weight of 564.00 g/mol. Its IUPAC name is ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 118054866
• Molecular Formula: C28H26ClN5O6
• Molecular Weight: 564.00 g/mol
• Exact Mass: 563.16
• IUPAC Name: ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C#N)cc3=O)cn12
• InChI: InChI=1S/C28H26ClN5O6/c1-4-40-28(37)23-14-31-25-8-7-19(15-33(23)25)32-27(36)22(9-10-38-2)34-16-24(39-3)21(12-26(34)35)20-11-18(29)6-5-17(20)13-30/h5-8,11-12,14-16,22H,4,9-10H2,1-3H3,(H,32,36)
• InChIKey: VVPIFAABYQQPKY-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 136.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.00
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate (CID 118054866) is ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(NC(=O)C(CCOC)n3cc(OC)c(-c4cc(Cl)ccc4C#N)cc3=O)cn12.

What is the InChIKey of ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is VVPIFAABYQQPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O6/c1-4-40-28(37)23-14-31-25-8-7-19(15-33(23)25)32-27(36)22(9-10-38-2)34-16-24(39-3)21(12-26(34)35)20-11-18(29)6-5-17(20)13-30/h5-8,11-12,14-16,22H,4,9-10H2,1-3H3,(H,32,36).

What are the key properties of ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?

ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 564.00 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 118054866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).