2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol

C21H25FN6O2 — CID 166997045

IUPAC2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol
SMILESCC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(C)O
InChIInChI=1S/C21H25FN6O2/c1-12(14-10-13(22)6-7-16(14)20(2,3)29)24-17-8-9-28-19(25-17)15(11-23-28)18-26-21(4,5)30-27-18/h6-12,29H,1-5H3,(H,24,25)(H,26,27)
InChIKeyHVADSNJSPLGQJM-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol

2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol (PubChem CID 166997045) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol
PubChem CID166997045
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol
SMILESCC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(C)O
InChIInChI=1S/C21H25FN6O2/c1-12(14-10-13(22)6-7-16(14)20(2,3)29)24-17-8-9-28-19(25-17)15(11-23-28)18-26-21(4,5)30-27-18/h6-12,29H,1-5H3,(H,24,25)(H,26,27)
InChIKeyHVADSNJSPLGQJM-UHFFFAOYSA-N
XLogP3.29
TPSA96.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol (CID 166997045) is 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol is CC(Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1C(C)(C)O.
What is the InChIKey of 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol?
The InChIKey is HVADSNJSPLGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-12(14-10-13(22)6-7-16(14)20(2,3)29)24-17-8-9-28-19(25-17)15(11-23-28)18-26-21(4,5)30-27-18/h6-12,29H,1-5H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol?
2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol has a molecular weight of 412.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]propan-2-ol is sourced from PubChem (CID 166997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).