3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C20H19FN8O — CID 166996871

IUPAC3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2nccnc12
InChIInChI=1S/C20H19FN8O/c1-11(13-8-12(21)9-15-17(13)23-6-5-22-15)25-16-4-7-29-19(26-16)14(10-24-29)18-27-20(2,3)30-28-18/h4-11H,1-3H3,(H,25,26)(H,27,28)
InChIKeySDZVPOFYZBTOHV-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.00
Rot. Bonds4

About 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 166996871) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID166996871
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2nccnc12
InChIInChI=1S/C20H19FN8O/c1-11(13-8-12(21)9-15-17(13)23-6-5-22-15)25-16-4-7-29-19(26-16)14(10-24-29)18-27-20(2,3)30-28-18/h4-11H,1-3H3,(H,25,26)(H,27,28)
InChIKeySDZVPOFYZBTOHV-UHFFFAOYSA-N
XLogP3.00
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 166996871) is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)cc2nccnc12.
What is the InChIKey of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is SDZVPOFYZBTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-11(13-8-12(21)9-15-17(13)23-6-5-22-15)25-16-4-7-29-19(26-16)14(10-24-29)18-27-20(2,3)30-28-18/h4-11H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 406.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 166996871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).