5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C20H17N7O — CID 56943831

IUPAC5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)16-3-2-15(12-23-16)20(6-1-7-20)18-26-17(28-27-18)13-4-8-22-9-5-13/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
InChIKeyCQOGWFJHAQUXAG-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.04
Rot. Bonds4

About 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56943831) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56943831
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)16-3-2-15(12-23-16)20(6-1-7-20)18-26-17(28-27-18)13-4-8-22-9-5-13/h2-5,8-12H,1,6-7H2,(H2,21,24,25)
InChIKeyCQOGWFJHAQUXAG-UHFFFAOYSA-N
XLogP3.04
TPSA116.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56943831) is 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is CQOGWFJHAQUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-19-24-10-14(11-25-19)16-3-2-15(12-23-16)20(6-1-7-20)18-26-17(28-27-18)13-4-8-22-9-5-13/h2-5,8-12H,1,6-7H2,(H2,21,24,25).
What are the key properties of 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 371.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56943831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).