4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine

C28H23N17O3 — CID 140989008

IUPAC4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine
SMILESc1ccc(N2OC(c3ncccn3)(c3nn[nH]n3)C(c3cnon3)(c3nncc(-c4ccc[nH]4)c3-c3cn[nH]n3)N2C2CCCO2)nc1
InChIInChI=1S/C28H23N17O3/c1-2-9-30-21(7-1)45-44(22-8-4-13-46-22)27(20-16-35-48-40-20,28(47-45,26-38-42-43-39-26)25-31-11-5-12-32-25)24-23(19-15-34-41-36-19)17(14-33-37-24)18-6-3-10-29-18/h1-3,5-7,9-12,14-16,22,29H,4,8,13H2,(H,34,36,41)(H,38,39,42,43)
InChIKeyAEDCEJUMQGSFGI-UHFFFAOYSA-N
MW645.61 g/mol
LogP1.33
Rot. Bonds8

About 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine

4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine (PubChem CID 140989008) has the molecular formula C28H23N17O3 and a molecular weight of 645.61 g/mol. Its IUPAC name is 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine.

Molecular Properties

Compound Name4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine
PubChem CID140989008
Molecular FormulaC28H23N17O3
Molecular Weight645.61 g/mol
Exact Mass645.22
IUPAC Name4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine
SMILESc1ccc(N2OC(c3ncccn3)(c3nn[nH]n3)C(c3cnon3)(c3nncc(-c4ccc[nH]4)c3-c3cn[nH]n3)N2C2CCCO2)nc1
InChIInChI=1S/C28H23N17O3/c1-2-9-30-21(7-1)45-44(22-8-4-13-46-22)27(20-16-35-48-40-20,28(47-45,26-38-42-43-39-26)25-31-11-5-12-32-25)24-23(19-15-34-41-36-19)17(14-33-37-24)18-6-3-10-29-18/h1-3,5-7,9-12,14-16,22,29H,4,8,13H2,(H,34,36,41)(H,38,39,42,43)
InChIKeyAEDCEJUMQGSFGI-UHFFFAOYSA-N
XLogP1.33
TPSA240.13 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.61
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine with MolForge

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Related Compounds

2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
CID 141270812
2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine
CID 141340016

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine?
The IUPAC name of 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine (CID 140989008) is 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine.
What is the SMILES notation for 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine?
The canonical SMILES for 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine is c1ccc(N2OC(c3ncccn3)(c3nn[nH]n3)C(c3cnon3)(c3nncc(-c4ccc[nH]4)c3-c3cn[nH]n3)N2C2CCCO2)nc1.
What is the InChIKey of 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine?
The InChIKey is AEDCEJUMQGSFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N17O3/c1-2-9-30-21(7-1)45-44(22-8-4-13-46-22)27(20-16-35-48-40-20,28(47-45,26-38-42-43-39-26)25-31-11-5-12-32-25)24-23(19-15-34-41-36-19)17(14-33-37-24)18-6-3-10-29-18/h1-3,5-7,9-12,14-16,22,29H,4,8,13H2,(H,34,36,41)(H,38,39,42,43).
What are the key properties of 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine?
4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine has a molecular weight of 645.61 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,5-oxadiazol-3-yl)-3-(oxolan-2-yl)-2-pyridin-2-yl-5-pyrimidin-2-yl-4-[5-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)pyridazin-3-yl]-5-(2H-tetrazol-5-yl)oxadiazolidine is sourced from PubChem (CID 140989008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).