4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole

C32H17N19O2S — CID 136657263

IUPAC4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole
SMILESc1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2snnc2-c2[nH]nnc2-c2cnc(-c3c[nH]nc3-c3oncc3-c3conn3)[nH]2)nc1
InChIInChI=1S/C32H17N19O2S/c1-3-16(31-36-6-2-7-37-31)22(33-5-1)26-21(34-9-10-35-26)15-4-8-39-45-24(15)30-28(48-51-54-30)27-25(46-49-47-27)19-13-38-32(42-19)18-11-40-44-23(18)29-17(12-41-53-29)20-14-52-50-43-20/h1-14H,(H,38,42)(H,40,44)(H,46,47,49)
InChIKeyNFBVGYRULBYBJH-UHFFFAOYSA-N
MW731.69 g/mol
LogP4.24
Rot. Bonds9

About 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole

4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole (PubChem CID 136657263) has the molecular formula C32H17N19O2S and a molecular weight of 731.69 g/mol. Its IUPAC name is 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole
PubChem CID136657263
Molecular FormulaC32H17N19O2S
Molecular Weight731.69 g/mol
Exact Mass731.15
IUPAC Name4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole
SMILESc1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2snnc2-c2[nH]nnc2-c2cnc(-c3c[nH]nc3-c3oncc3-c3conn3)[nH]2)nc1
InChIInChI=1S/C32H17N19O2S/c1-3-16(31-36-6-2-7-37-31)22(33-5-1)26-21(34-9-10-35-26)15-4-8-39-45-24(15)30-28(48-51-54-30)27-25(46-49-47-27)19-13-38-32(42-19)18-11-40-44-23(18)29-17(12-41-53-29)20-14-52-50-43-20/h1-14H,(H,38,42)(H,40,44)(H,46,47,49)
InChIKeyNFBVGYRULBYBJH-UHFFFAOYSA-N
XLogP4.24
TPSA279.89 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.69
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole with MolForge

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Related Compounds

4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
CID 123454194
4-[5-[4-[5-(2H-triazol-4-yl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]-1,2-oxazol-4-yl]oxadiazole
CID 136652996
4-[5-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-2H-triazol-4-yl]-5-[5-(1-pyridin-2-yltetrazol-5-yl)thiadiazol-4-yl]oxadiazole
CID 137099320

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole?
The IUPAC name of 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole (CID 136657263) is 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole?
The canonical SMILES for 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole is c1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2snnc2-c2[nH]nnc2-c2cnc(-c3c[nH]nc3-c3oncc3-c3conn3)[nH]2)nc1.
What is the InChIKey of 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole?
The InChIKey is NFBVGYRULBYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N19O2S/c1-3-16(31-36-6-2-7-37-31)22(33-5-1)26-21(34-9-10-35-26)15-4-8-39-45-24(15)30-28(48-51-54-30)27-25(46-49-47-27)19-13-38-32(42-19)18-11-40-44-23(18)29-17(12-41-53-29)20-14-52-50-43-20/h1-14H,(H,38,42)(H,40,44)(H,46,47,49).
What are the key properties of 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole?
4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole has a molecular weight of 731.69 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[5-[5-[5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-triazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-1,2-oxazol-4-yl]oxadiazole is sourced from PubChem (CID 136657263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).