4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one

C25H20N6O3 — CID 166738323

About 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one (PubChem CID 166738323) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one.

Molecular Properties

• Compound Name: 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
• PubChem CID: 166738323
• Molecular Formula: C25H20N6O3
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.16
• IUPAC Name: 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
• SMILES: Cc1cccc(-c2ccn(-c3nc(N4CCOCC4=O)c4oc(-c5ccccn5)cc4n3)n2)c1
• InChI: InChI=1S/C25H20N6O3/c1-16-5-4-6-17(13-16)18-8-10-31(29-18)25-27-20-14-21(19-7-2-3-9-26-19)34-23(20)24(28-25)30-11-12-33-15-22(30)32/h2-10,13-14H,11-12,15H2,1H3
• InChIKey: DIPRDSAALPEZRV-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 99.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?

The IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one (CID 166738323) is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one.

What is the SMILES notation for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?

The canonical SMILES for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4=O)c4oc(-c5ccccn5)cc4n3)n2)c1.

What is the InChIKey of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?

The InChIKey is DIPRDSAALPEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-16-5-4-6-17(13-16)18-8-10-31(29-18)25-27-20-14-21(19-7-2-3-9-26-19)34-23(20)24(28-25)30-11-12-33-15-22(30)32/h2-10,13-14H,11-12,15H2,1H3.

What are the key properties of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one has a molecular weight of 452.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one is sourced from PubChem (CID 166738323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).