2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine

C35H24N8OS — CID 141150929

About 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine

2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine (PubChem CID 141150929) has the molecular formula C35H24N8OS and a molecular weight of 604.70 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine.

Molecular Properties

• Compound Name: 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
• PubChem CID: 141150929
• Molecular Formula: C35H24N8OS
• Molecular Weight: 604.70 g/mol
• Exact Mass: 604.18
• IUPAC Name: 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
• SMILES: c1ccc(C2=C(c3cnccn3)C(c3ncccn3)C(c3cccnn3)(c3ccco3)C(c3ccc[nH]3)=C2c2cccs2)nc1
• InChI: InChI=1S/C35H24N8OS/c1-2-13-37-23(8-1)29-30(25-22-36-18-19-39-25)33(34-40-15-7-16-41-34)35(28-12-5-20-44-28,27-11-4-17-42-43-27)32(24-9-3-14-38-24)31(29)26-10-6-21-45-26/h1-22,33,38H
• InChIKey: GGKBCUJEMPLFRS-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 119.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.70
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine?

The IUPAC name of 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine (CID 141150929) is 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine.

What is the SMILES notation for 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine?

The canonical SMILES for 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine is c1ccc(C2=C(c3cnccn3)C(c3ncccn3)C(c3cccnn3)(c3ccco3)C(c3ccc[nH]3)=C2c2cccs2)nc1.

What is the InChIKey of 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine?

The InChIKey is GGKBCUJEMPLFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N8OS/c1-2-13-37-23(8-1)29-30(25-22-36-18-19-39-25)33(34-40-15-7-16-41-34)35(28-12-5-20-44-28,27-11-4-17-42-43-27)32(24-9-3-14-38-24)31(29)26-10-6-21-45-26/h1-22,33,38H.

What are the key properties of 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine?

2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine has a molecular weight of 604.70 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine is sourced from PubChem (CID 141150929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).