4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine

C29H22N12OS — CID 141008988

About 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine

4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 141008988) has the molecular formula C29H22N12OS and a molecular weight of 586.65 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine.

Molecular Properties

• Compound Name: 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
• PubChem CID: 141008988
• Molecular Formula: C29H22N12OS
• Molecular Weight: 586.65 g/mol
• Exact Mass: 586.18
• IUPAC Name: 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
• SMILES: c1ccc(C2(c3ccn[nH]3)OC(c3ccc[nH]3)(c3nccs3)N(c3ncccn3)C2(c2cnccn2)c2ncc[nH]2)nc1
• InChI: InChI=1S/C29H22N12OS/c1-2-8-31-20(5-1)28(21-7-12-39-40-21)27(24-34-15-16-35-24,23-19-30-13-14-33-23)41(26-37-10-4-11-38-26)29(42-28,22-6-3-9-32-22)25-36-17-18-43-25/h1-19,32H,(H,34,35)(H,39,40)
• InChIKey: NVIPOMWPHPJXRC-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 162.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.65
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?

The IUPAC name of 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 141008988) is 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine.

What is the SMILES notation for 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?

The canonical SMILES for 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is c1ccc(C2(c3ccn[nH]3)OC(c3ccc[nH]3)(c3nccs3)N(c3ncccn3)C2(c2cnccn2)c2ncc[nH]2)nc1.

What is the InChIKey of 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?

The InChIKey is NVIPOMWPHPJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N12OS/c1-2-8-31-20(5-1)28(21-7-12-39-40-21)27(24-34-15-16-35-24,23-19-30-13-14-33-23)41(26-37-10-4-11-38-26)29(42-28,22-6-3-9-32-22)25-36-17-18-43-25/h1-19,32H,(H,34,35)(H,39,40).

What are the key properties of 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?

4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 586.65 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 141008988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).