furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C23H28N6O3 — CID 46952660

About furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 46952660) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
• PubChem CID: 46952660
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1
• InChI: InChI=1S/C23H28N6O3/c1-16-14-20(32-26-16)18-15-24-23(29-11-9-27(2)10-12-29)25-21(18)17-5-7-28(8-6-17)22(30)19-4-3-13-31-19/h3-4,13-15,17H,5-12H2,1-2H3
• InChIKey: STZUQQVMWNCMCN-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 91.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 46952660) is furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1.

What is the InChIKey of furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?

The InChIKey is STZUQQVMWNCMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-14-20(32-26-16)18-15-24-23(29-11-9-27(2)10-12-29)25-21(18)17-5-7-28(8-6-17)22(30)19-4-3-13-31-19/h3-4,13-15,17H,5-12H2,1-2H3.

What are the key properties of furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?

furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 436.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46952660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).