4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole

C25H12N12O3S — CID 141196712

IUPAC4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole
SMILESc1cnc(-c2nn(-c3csnn3)c3c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c(-c4cccnn4)c23)nc1
InChIInChI=1S/C25H12N12O3S/c1-3-13(30-29-7-1)17-18(14-4-9-39-34-14)19(15-11-40-35-31-15)21(25-28-8-10-38-25)23-20(17)22(24-26-5-2-6-27-24)33-37(23)16-12-41-36-32-16/h1-12H
InChIKeyXGKGMUFAUPZYJH-UHFFFAOYSA-N
MW560.52 g/mol
LogP4.15
Rot. Bonds6

About 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole

4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole (PubChem CID 141196712) has the molecular formula C25H12N12O3S and a molecular weight of 560.52 g/mol. Its IUPAC name is 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole
PubChem CID141196712
Molecular FormulaC25H12N12O3S
Molecular Weight560.52 g/mol
Exact Mass560.09
IUPAC Name4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole
SMILESc1cnc(-c2nn(-c3csnn3)c3c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c(-c4cccnn4)c23)nc1
InChIInChI=1S/C25H12N12O3S/c1-3-13(30-29-7-1)17-18(14-4-9-39-34-14)19(15-11-40-35-31-15)21(25-28-8-10-38-25)23-20(17)22(24-26-5-2-6-27-24)33-37(23)16-12-41-36-32-16/h1-12H
InChIKeyXGKGMUFAUPZYJH-UHFFFAOYSA-N
XLogP4.15
TPSA186.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
CID 141071928
4-[4-(1,2-Oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
CID 141196717
4-[2-(1H-indazol-3-yl)-5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-8-(thiadiazol-4-yl)quinoxalin-6-yl]oxadiazole
CID 141196749
4-[8-(1,3-Oxazol-2-yl)-3-pyrazin-2-yl-4-pyridazin-3-yl-2-pyrimidin-2-yl-6-(thiadiazol-4-yl)-5-(triazin-4-yl)quinolin-7-yl]oxadiazole
CID 141374336

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole?
The IUPAC name of 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole (CID 141196712) is 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole.
What is the SMILES notation for 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole?
The canonical SMILES for 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole is c1cnc(-c2nn(-c3csnn3)c3c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c(-c4cccnn4)c23)nc1.
What is the InChIKey of 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole?
The InChIKey is XGKGMUFAUPZYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12N12O3S/c1-3-13(30-29-7-1)17-18(14-4-9-39-34-14)19(15-11-40-35-31-15)21(25-28-8-10-38-25)23-20(17)22(24-26-5-2-6-27-24)33-37(23)16-12-41-36-32-16/h1-12H.
What are the key properties of 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole?
4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole has a molecular weight of 560.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole is sourced from PubChem (CID 141196712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).