3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine

C32H23N9O2S — CID 141012348

About 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine

3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141012348) has the molecular formula C32H23N9O2S and a molecular weight of 597.66 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• PubChem CID: 141012348
• Molecular Formula: C32H23N9O2S
• Molecular Weight: 597.66 g/mol
• Exact Mass: 597.17
• IUPAC Name: 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
• SMILES: c1ccc(C2(c3ccc[nH]3)ON(c3cccs3)C(c3cccnn3)(c3ccco3)C2(c2cnccn2)c2ncccn2)nc1
• InChI: InChI=1S/C32H23N9O2S/c1-2-13-34-24(8-1)32(25-10-3-14-35-25)30(26-22-33-18-19-36-26,29-37-15-7-16-38-29)31(27-11-5-20-42-27,23-9-4-17-39-40-23)41(43-32)28-12-6-21-44-28/h1-22,35H
• InChIKey: IDQYGXATJUKXKV-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 131.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.66
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The IUPAC name of 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine (CID 141012348) is 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine.

What is the SMILES notation for 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The canonical SMILES for 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is c1ccc(C2(c3ccc[nH]3)ON(c3cccs3)C(c3cccnn3)(c3ccco3)C2(c2cnccn2)c2ncccn2)nc1.

What is the InChIKey of 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

The InChIKey is IDQYGXATJUKXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N9O2S/c1-2-13-34-24(8-1)32(25-10-3-14-35-25)30(26-22-33-18-19-36-26,29-37-15-7-16-38-29)31(27-11-5-20-42-27,23-9-4-17-39-40-23)41(43-32)28-12-6-21-44-28/h1-22,35H.

What are the key properties of 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine?

3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 597.66 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141012348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).