3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C23H23FN6O2 — CID 164710755

IUPAC3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cccc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c12
InChIInChI=1S/C23H23FN6O2/c1-13(16-11-15(24)10-14-6-5-7-18(31-4)20(14)16)26-19-8-9-30-22(27-19)17(12-25-30)21-28-23(2,3)32-29-21/h5-13H,1-4H3,(H,26,27)(H,28,29)/t13-/m1/s1
InChIKeyCAKMXOXUCXCOMV-CYBMUJFWSA-N
MW434.48 g/mol
LogP4.22
Rot. Bonds5

About 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 164710755) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID164710755
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cccc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c12
InChIInChI=1S/C23H23FN6O2/c1-13(16-11-15(24)10-14-6-5-7-18(31-4)20(14)16)26-19-8-9-30-22(27-19)17(12-25-30)21-28-23(2,3)32-29-21/h5-13H,1-4H3,(H,26,27)(H,28,29)/t13-/m1/s1
InChIKeyCAKMXOXUCXCOMV-CYBMUJFWSA-N
XLogP4.22
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

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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-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-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-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 164710755) is 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-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-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-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-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is COc1cccc2cc(F)cc([C@@H](C)Nc3ccn4ncc(C5=NC(C)(C)ON5)c4n3)c12.
What is the InChIKey of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CAKMXOXUCXCOMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-13(16-11-15(24)10-14-6-5-7-18(31-4)20(14)16)26-19-8-9-30-22(27-19)17(12-25-30)21-28-23(2,3)32-29-21/h5-13H,1-4H3,(H,26,27)(H,28,29)/t13-/m1/s1.
What are the key properties of 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 434.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoro-8-methoxynaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 164710755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).