1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

C22H23N7O — CID 45484816

About 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (PubChem CID 45484816) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
• PubChem CID: 45484816
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
• SMILES: CCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1
• InChI: InChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30)
• InChIKey: PWXQYTWWLZHTSG-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 97.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?

The IUPAC name of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea (CID 45484816) is 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea.

What is the SMILES notation for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?

The canonical SMILES for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is CCNC(=O)Nc1cn2c(-c3ncc(C(C)C)cn3)cc(-c3cccnc3)cc2n1.

What is the InChIKey of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?

The InChIKey is PWXQYTWWLZHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30).

What are the key properties of 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea?

1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea is sourced from PubChem (CID 45484816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).