2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide

C24H15F2N5O3 — CID 136615236

About 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide

2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide (PubChem CID 136615236) has the molecular formula C24H15F2N5O3 and a molecular weight of 459.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
• PubChem CID: 136615236
• Molecular Formula: C24H15F2N5O3
• Molecular Weight: 459.41 g/mol
• Exact Mass: 459.11
• IUPAC Name: 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
• SMILES: O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C24H15F2N5O3/c25-15-8-4-9-16(26)22(15)23(33)28-20-12-18(19-10-5-11-34-19)30-31(20)24-27-17(13-21(32)29-24)14-6-2-1-3-7-14/h1-13H,(H,28,33)(H,27,29,32)
• InChIKey: QVYCIUMTMKQLPW-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.41
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide (CID 136615236) is 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide?

The InChIKey is QVYCIUMTMKQLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N5O3/c25-15-8-4-9-16(26)22(15)23(33)28-20-12-18(19-10-5-11-34-19)30-31(20)24-27-17(13-21(32)29-24)14-6-2-1-3-7-14/h1-13H,(H,28,33)(H,27,29,32).

What are the key properties of 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide?

2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide has a molecular weight of 459.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 136615236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).