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

C21H17N9O — CID 56944228

IUPAC5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1
InChIInChI=1S/C21H17N9O/c22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30/h2-4,7-12H,1,5-6H2,(H2,22,25,26)
InChIKeyBUGJNVWJKANADI-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.68
Rot. Bonds4

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

5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56944228) has the molecular formula C21H17N9O and a molecular weight of 411.43 g/mol. Its IUPAC name is 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56944228
Molecular FormulaC21H17N9O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1
InChIInChI=1S/C21H17N9O/c22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30/h2-4,7-12H,1,5-6H2,(H2,22,25,26)
InChIKeyBUGJNVWJKANADI-UHFFFAOYSA-N
XLogP2.68
TPSA133.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56944228) is 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BUGJNVWJKANADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O/c22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30/h2-4,7-12H,1,5-6H2,(H2,22,25,26).
What are the key properties of 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 411.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56944228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).