2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole

C29H21N13OS — CID 140973168

About 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole

2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole (PubChem CID 140973168) has the molecular formula C29H21N13OS and a molecular weight of 599.64 g/mol. Its IUPAC name is 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
• PubChem CID: 140973168
• Molecular Formula: C29H21N13OS
• Molecular Weight: 599.64 g/mol
• Exact Mass: 599.17
• IUPAC Name: 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
• SMILES: c1ccc(N2C(c3ccn[nH]3)(c3nccs3)C(c3cccnn3)N(c3cnccn3)C2(c2ncccn2)c2ncco2)nc1
• InChI: InChI=1S/C29H21N13OS/c1-2-8-31-22(6-1)42-28(21-7-12-38-40-21,27-36-16-18-44-27)24(20-5-3-11-37-39-20)41(23-19-30-13-14-32-23)29(42,26-35-15-17-43-26)25-33-9-4-10-34-25/h1-19,24H,(H,38,40)
• InChIKey: BFWRJHNEQXUCEY-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 164.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.64
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole?

The IUPAC name of 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole (CID 140973168) is 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole.

What is the SMILES notation for 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole?

The canonical SMILES for 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole is c1ccc(N2C(c3ccn[nH]3)(c3nccs3)C(c3cccnn3)N(c3cnccn3)C2(c2ncccn2)c2ncco2)nc1.

What is the InChIKey of 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole?

The InChIKey is BFWRJHNEQXUCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N13OS/c1-2-8-31-22(6-1)42-28(21-7-12-38-40-21,27-36-16-18-44-27)24(20-5-3-11-37-39-20)41(23-19-30-13-14-32-23)29(42,26-35-15-17-43-26)25-33-9-4-10-34-25/h1-19,24H,(H,38,40).

What are the key properties of 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole?

2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole has a molecular weight of 599.64 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 140973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).