(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine

C17H23FN6O — CID 56898062

IUPAC(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cc3n(n2)CCN(c2ncc(F)cn2)C3)C[C@H](C)O1
InChIInChI=1S/C17H23FN6O/c1-12-8-22(9-13(2)25-12)10-15-5-16-11-23(3-4-24(16)21-15)17-19-6-14(18)7-20-17/h5-7,12-13H,3-4,8-11H2,1-2H3/t12-,13+
InChIKeyBCECXNWRFVDZBS-BETUJISGSA-N
MW346.41 g/mol
LogP1.44
Rot. Bonds3

About (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 56898062) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID56898062
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cc3n(n2)CCN(c2ncc(F)cn2)C3)C[C@H](C)O1
InChIInChI=1S/C17H23FN6O/c1-12-8-22(9-13(2)25-12)10-15-5-16-11-23(3-4-24(16)21-15)17-19-6-14(18)7-20-17/h5-7,12-13H,3-4,8-11H2,1-2H3/t12-,13+
InChIKeyBCECXNWRFVDZBS-BETUJISGSA-N
XLogP1.44
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine (CID 56898062) is (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2cc3n(n2)CCN(c2ncc(F)cn2)C3)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is BCECXNWRFVDZBS-BETUJISGSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-12-8-22(9-13(2)25-12)10-15-5-16-11-23(3-4-24(16)21-15)17-19-6-14(18)7-20-17/h5-7,12-13H,3-4,8-11H2,1-2H3/t12-,13+.
What are the key properties of (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 346.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 56898062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).