1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine

C28H22N14O — CID 141124492

About 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine

1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine (PubChem CID 141124492) has the molecular formula C28H22N14O and a molecular weight of 570.58 g/mol. Its IUPAC name is 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine
• PubChem CID: 141124492
• Molecular Formula: C28H22N14O
• Molecular Weight: 570.58 g/mol
• Exact Mass: 570.21
• IUPAC Name: 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine
• SMILES: c1cnc(C2(c3ccc[nH]3)C(c3cnccn3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N(c3ccco3)N2c2ccn[nH]2)nc1
• InChI: InChI=1S/C28H22N14O/c1-4-20(31-7-1)28(27-34-8-3-9-35-27)24(19-16-29-11-12-30-19)23(18-17-37-40-38-18)25(26-32-13-14-33-26)41(22-5-2-15-43-22)42(28)21-6-10-36-39-21/h1-17,24,31H,(H,32,33)(H,36,39)(H,37,38,40)
• InChIKey: HZDPOTKANVFLDU-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 185.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.58
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine?

The IUPAC name of 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine (CID 141124492) is 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine.

What is the SMILES notation for 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine?

The canonical SMILES for 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine is c1cnc(C2(c3ccc[nH]3)C(c3cnccn3)C(c3cn[nH]n3)=C(c3ncc[nH]3)N(c3ccco3)N2c2ccn[nH]2)nc1.

What is the InChIKey of 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine?

The InChIKey is HZDPOTKANVFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N14O/c1-4-20(31-7-1)28(27-34-8-3-9-35-27)24(19-16-29-11-12-30-19)23(18-17-37-40-38-18)25(26-32-13-14-33-26)41(22-5-2-15-43-22)42(28)21-6-10-36-39-21/h1-17,24,31H,(H,32,33)(H,36,39)(H,37,38,40).

What are the key properties of 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine?

1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine has a molecular weight of 570.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-6-(1H-imidazol-2-yl)-4-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-4H-pyridazine is sourced from PubChem (CID 141124492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).