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

C29H14N12O3S — CID 141196749

IUPAC4-[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
SMILESc1cnnc(-c2nc3c(-c4ccon4)c(-c4conn4)c(-c4ncco4)c(-c4csnn4)c3nc2-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C29H14N12O3S/c1-2-5-15-14(4-1)24(38-35-15)28-25(17-6-3-8-31-34-17)32-26-21(16-7-10-43-39-16)20(18-12-44-40-36-18)23(29-30-9-11-42-29)22(27(26)33-28)19-13-45-41-37-19/h1-13H,(H,35,38)
InChIKeyAVERAKLQWQSMER-UHFFFAOYSA-N
MW610.58 g/mol
LogP5.51
Rot. Bonds6

About 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

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 (PubChem CID 141196749) has the molecular formula C29H14N12O3S and a molecular weight of 610.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID141196749
Molecular FormulaC29H14N12O3S
Molecular Weight610.58 g/mol
Exact Mass610.10
IUPAC Name4-[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
SMILESc1cnnc(-c2nc3c(-c4ccon4)c(-c4conn4)c(-c4ncco4)c(-c4csnn4)c3nc2-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C29H14N12O3S/c1-2-5-15-14(4-1)24(38-35-15)28-25(17-6-3-8-31-34-17)32-26-21(16-7-10-43-39-16)20(18-12-44-40-36-18)23(29-30-9-11-42-29)22(27(26)33-28)19-13-45-41-37-19/h1-13H,(H,35,38)
InChIKeyAVERAKLQWQSMER-UHFFFAOYSA-N
XLogP5.51
TPSA197.00 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
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
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
2-[7-(1,2-Benzoxazol-3-yl)-2-(oxadiazol-4-yl)-3-pyridazin-3-yl-8-(thiadiazol-4-yl)quinoxalin-6-yl]-1,3-benzoxazole
CID 141196735
4-[7-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)quinolin-5-yl]oxadiazole
CID 141374333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnnc(-c2nc3c(-c4ccon4)c(-c4conn4)c(-c4ncco4)c(-c4csnn4)c3nc2-c2n[nH]c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is AVERAKLQWQSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14N12O3S/c1-2-5-15-14(4-1)24(38-35-15)28-25(17-6-3-8-31-34-17)32-26-21(16-7-10-43-39-16)20(18-12-44-40-36-18)23(29-30-9-11-42-29)22(27(26)33-28)19-13-45-41-37-19/h1-13H,(H,35,38).
What are the key properties of 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?
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 has a molecular weight of 610.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141196749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).