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

C19H21FN6O2 — CID 164710771

IUPAC[2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1CO
InChIInChI=1S/C19H21FN6O2/c1-11(14-8-13(20)5-4-12(14)10-27)22-16-6-7-26-18(23-16)15(9-21-26)17-24-19(2,3)28-25-17/h4-9,11,27H,10H2,1-3H3,(H,22,23)(H,24,25)/t11-/m1/s1
InChIKeyVTKULKANPBQJIV-LLVKDONJSA-N
MW384.42 g/mol
LogP2.55
Rot. Bonds5

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

[2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol (PubChem CID 164710771) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol
PubChem CID164710771
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name[2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1CO
InChIInChI=1S/C19H21FN6O2/c1-11(14-8-13(20)5-4-12(14)10-27)22-16-6-7-26-18(23-16)15(9-21-26)17-24-19(2,3)28-25-17/h4-9,11,27H,10H2,1-3H3,(H,22,23)(H,24,25)/t11-/m1/s1
InChIKeyVTKULKANPBQJIV-LLVKDONJSA-N
XLogP2.55
TPSA96.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol?
The IUPAC name of [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol (CID 164710771) is [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol.
What is the SMILES notation for [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol?
The canonical SMILES for [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol is C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1CO.
What is the InChIKey of [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol?
The InChIKey is VTKULKANPBQJIV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-11(14-8-13(20)5-4-12(14)10-27)22-16-6-7-26-18(23-16)15(9-21-26)17-24-19(2,3)28-25-17/h4-9,11,27H,10H2,1-3H3,(H,22,23)(H,24,25)/t11-/m1/s1.
What are the key properties of [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol?
[2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol has a molecular weight of 384.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenyl]methanol is sourced from PubChem (CID 164710771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).