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

C18H19FN6O2 — CID 155279097

IUPAC2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenol
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1O
InChIInChI=1S/C18H19FN6O2/c1-10(12-8-11(19)4-5-14(12)26)21-15-6-7-25-17(22-15)13(9-20-25)16-23-18(2,3)27-24-16/h4-10,26H,1-3H3,(H,21,22)(H,23,24)/t10-/m1/s1
InChIKeyXHVHAYWDHFFFFN-SNVBAGLBSA-N
MW370.39 g/mol
LogP2.76
Rot. Bonds4

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-fluorophenol

2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenol (PubChem CID 155279097) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 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-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenol
PubChem CID155279097
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenol
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1O
InChIInChI=1S/C18H19FN6O2/c1-10(12-8-11(19)4-5-14(12)26)21-15-6-7-25-17(22-15)13(9-20-25)16-23-18(2,3)27-24-16/h4-10,26H,1-3H3,(H,21,22)(H,23,24)/t10-/m1/s1
InChIKeyXHVHAYWDHFFFFN-SNVBAGLBSA-N
XLogP2.76
TPSA96.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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-fluorophenol with MolForge

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Related Compounds

Crt 0066101
CID 136189563
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
4-(2-Anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol
CID 141301379
US20240025908, Example 26
CID 170680037
US20240025908, Example 9
CID 170680053
US20240025908, Example 20
CID 170680059
US20240025908, Example 21
CID 170680065
US20240025908, Example 7
CID 170680071
US20240025908, Example 6
CID 170680075
(R)-2-(4-((2-aminobutyl)amino)pyrimidin-2-yl)-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride
CID 136664697
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189

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-fluorophenol?
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-fluorophenol (CID 155279097) 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-fluorophenol.
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-fluorophenol?
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-fluorophenol is C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1)c1cc(F)ccc1O.
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-fluorophenol?
The InChIKey is XHVHAYWDHFFFFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10(12-8-11(19)4-5-14(12)26)21-15-6-7-25-17(22-15)13(9-20-25)16-23-18(2,3)27-24-16/h4-10,26H,1-3H3,(H,21,22)(H,23,24)/t10-/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-fluorophenol?
2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorophenol has a molecular weight of 370.39 g/mol, XLogP of 2.76, 4 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-fluorophenol is sourced from PubChem (CID 155279097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).