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

C30H20N12OS — CID 141185163

IUPAC2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccsn3)C(c3cccnn3)=C(c3ccn[nH]3)N(c3cnccn3)C2(c2ncccn2)c2ncco2)nc1
InChIInChI=1S/C30H20N12OS/c1-2-9-32-22(6-1)29(23-8-18-44-41-23)25(20-5-3-12-37-39-20)26(21-7-13-38-40-21)42(24-19-31-14-15-33-24)30(29,28-36-16-17-43-28)27-34-10-4-11-35-27/h1-19H,(H,38,40)
InChIKeyLSSKBSYLPURKPK-UHFFFAOYSA-N
MW596.64 g/mol
LogP3.94
Rot. Bonds7

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

2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole (PubChem CID 141185163) has the molecular formula C30H20N12OS and a molecular weight of 596.64 g/mol. Its IUPAC name is 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole
PubChem CID141185163
Molecular FormulaC30H20N12OS
Molecular Weight596.64 g/mol
Exact Mass596.16
IUPAC Name2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ccsn3)C(c3cccnn3)=C(c3ccn[nH]3)N(c3cnccn3)C2(c2ncccn2)c2ncco2)nc1
InChIInChI=1S/C30H20N12OS/c1-2-9-32-22(6-1)29(23-8-18-44-41-23)25(20-5-3-12-37-39-20)26(21-7-13-38-40-21)42(24-19-31-14-15-33-24)30(29,28-36-16-17-43-28)27-34-10-4-11-35-27/h1-19H,(H,38,40)
InChIKeyLSSKBSYLPURKPK-UHFFFAOYSA-N
XLogP3.94
TPSA161.07 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.64
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

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Launch Full Analysis

Related Compounds

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
2-[3-pyrazin-2-yl-2,3-bis(1H-pyrazol-5-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-4-pyrimidin-2-ylpyrrol-2-yl]-1,3-oxazole
CID 141304079
2-[4-pyrazin-2-yl-6-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-3-(2H-triazol-4-yl)triazinan-5-yl]-1,3-oxazole
CID 141396578

Frequently Asked Questions

What is the IUPAC name of 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole (CID 141185163) is 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole is c1ccc(C2(c3ccsn3)C(c3cccnn3)=C(c3ccn[nH]3)N(c3cnccn3)C2(c2ncccn2)c2ncco2)nc1.
What is the InChIKey of 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole?
The InChIKey is LSSKBSYLPURKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N12OS/c1-2-9-32-22(6-1)29(23-8-18-44-41-23)25(20-5-3-12-37-39-20)26(21-7-13-38-40-21)42(24-19-31-14-15-33-24)30(29,28-36-16-17-43-28)27-34-10-4-11-35-27/h1-19H,(H,38,40).
What are the key properties of 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole?
2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole has a molecular weight of 596.64 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)pyrrol-2-yl]-1,3-oxazole is sourced from PubChem (CID 141185163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).