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

C30H21N13O — CID 141304079

IUPAC2-[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
SMILESc1ccc(N2C(c3cccnn3)=C(c3ncccn3)C(c3cnccn3)(c3ccn[nH]3)C2(c2ccn[nH]2)c2ncco2)nc1
InChIInChI=1S/C30H21N13O/c1-2-9-33-24(6-1)43-26(20-5-3-12-37-40-20)25(27-34-10-4-11-35-27)29(21-7-13-38-41-21,23-19-31-15-16-32-23)30(43,22-8-14-39-42-22)28-36-17-18-44-28/h1-19H,(H,38,41)(H,39,42)
InChIKeyYTYUBBQEAKGUJP-UHFFFAOYSA-N
MW579.59 g/mol
LogP3.20
Rot. Bonds7

About 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

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 (PubChem CID 141304079) has the molecular formula C30H21N13O and a molecular weight of 579.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141304079
Molecular FormulaC30H21N13O
Molecular Weight579.59 g/mol
Exact Mass579.20
IUPAC Name2-[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
SMILESc1ccc(N2C(c3cccnn3)=C(c3ncccn3)C(c3cnccn3)(c3ccn[nH]3)C2(c2ccn[nH]2)c2ncco2)nc1
InChIInChI=1S/C30H21N13O/c1-2-9-33-24(6-1)43-26(20-5-3-12-37-40-20)25(27-34-10-4-11-35-27)29(21-7-13-38-41-21,23-19-31-15-16-32-23)30(43,22-8-14-39-42-22)28-36-17-18-44-28/h1-19H,(H,38,41)(H,39,42)
InChIKeyYTYUBBQEAKGUJP-UHFFFAOYSA-N
XLogP3.20
TPSA176.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-oxazole
CID 168264316
5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-1,2-oxazolidine
CID 140979834
3-(1,3-Oxazolidin-2-yl)-4-(1,3-oxazol-2-yl)-3-pyrazin-2-yl-5-pyridazin-3-yl-4-pyridin-2-yl-2-pyrimidin-2-yl-1,2-oxazolidine
CID 141014612
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
2-[2-phenanthren-1-yl-1-phenyl-6-(7H-purin-2-yl)-5-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-3-pyren-1-yl-2-pyridazin-3-yl-4H-pyridin-3-yl]-1,3-oxazole
CID 141384381
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N2C(c3cccnn3)=C(c3ncccn3)C(c3cnccn3)(c3ccn[nH]3)C2(c2ccn[nH]2)c2ncco2)nc1.
What is the InChIKey of 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?
The InChIKey is YTYUBBQEAKGUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N13O/c1-2-9-33-24(6-1)43-26(20-5-3-12-37-40-20)25(27-34-10-4-11-35-27)29(21-7-13-38-41-21,23-19-31-15-16-32-23)30(43,22-8-14-39-42-22)28-36-17-18-44-28/h1-19H,(H,38,41)(H,39,42).
What are the key properties of 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?
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 has a molecular weight of 579.59 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141304079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).