1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

C₂₃H₂₅N₇O₃ — CID 45484817

About 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484817) has the molecular formula C₂₃H₂₅N₇O₃ and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
• PubChem CID: 45484817
• Molecular Formula: C₂₃H₂₅N₇O₃
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
• SMILES: CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1
• InChI: InChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32)
• InChIKey: XRJJMGUVFQTPKV-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?

The IUPAC name of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea (CID 45484817) is 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea.

What is the SMILES notation for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?

The canonical SMILES for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCOC)c(=O)c3)cc2n1.

What is the InChIKey of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?

The InChIKey is XRJJMGUVFQTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32).

What are the key properties of 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea?

1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 447.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45484817 — identifiers, structure, computed properties (public domain)

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