8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one

C31H32FN5O2 — CID 118631111

About 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one

8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631111) has the molecular formula C31H32FN5O2 and a molecular weight of 525.63 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 118631111
• Molecular Formula: C31H32FN5O2
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.25
• IUPAC Name: 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one
• SMILES: COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)NCCc4ccccn4)cn3c2=O)c1
• InChI: InChI=1S/C31H32FN5O2/c1-21-28(22-11-9-13-25(18-22)39-4)29(38)37-20-27(31(2,3)34-17-15-24-12-7-8-16-33-24)35-30(37)36(21)19-23-10-5-6-14-26(23)32/h5-14,16,18,20,34H,15,17,19H2,1-4H3
• InChIKey: RJRATMKQFOEAPY-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one (CID 118631111) is 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one is COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)NCCc4ccccn4)cn3c2=O)c1.

What is the InChIKey of 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is RJRATMKQFOEAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2/c1-21-28(22-11-9-13-25(18-22)39-4)29(38)37-20-27(31(2,3)34-17-15-24-12-7-8-16-33-24)35-30(37)36(21)19-23-10-5-6-14-26(23)32/h5-14,16,18,20,34H,15,17,19H2,1-4H3.

What are the key properties of 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one?

8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 525.63 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-2-[2-(2-pyridin-2-ylethylamino)propan-2-yl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).