1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

C25H20N8O — CID 153264528

About 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 153264528) has the molecular formula C25H20N8O and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
• PubChem CID: 153264528
• Molecular Formula: C25H20N8O
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.18
• IUPAC Name: 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
• SMILES: Nc1ncc(-c2cnc3ncc(-c4cncc(-c5ccc(N6CCCC6=O)cc5)c4)cn23)cn1
• InChI: InChI=1S/C25H20N8O/c26-24-28-11-19(12-29-24)22-14-31-25-30-13-20(15-33(22)25)18-8-17(9-27-10-18)16-3-5-21(6-4-16)32-7-1-2-23(32)34/h3-6,8-15H,1-2,7H2,(H2,26,28,29)
• InChIKey: WVXCTQUSJAPCHJ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 115.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 153264528) is 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is Nc1ncc(-c2cnc3ncc(-c4cncc(-c5ccc(N6CCCC6=O)cc5)c4)cn23)cn1.

What is the InChIKey of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

The InChIKey is WVXCTQUSJAPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O/c26-24-28-11-19(12-29-24)22-14-31-25-30-13-20(15-33(22)25)18-8-17(9-27-10-18)16-3-5-21(6-4-16)32-7-1-2-23(32)34/h3-6,8-15H,1-2,7H2,(H2,26,28,29).

What are the key properties of 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?

1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 448.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 153264528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).