3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine

C17H21F3N6O2 — CID 166132330

IUPAC3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine
SMILESFC(F)(F)c1cnc(N2CCn3nc(COCC4COCCN4)cc3C2)nc1
InChIInChI=1S/C17H21F3N6O2/c18-17(19,20)12-6-22-16(23-7-12)25-2-3-26-15(8-25)5-13(24-26)9-28-11-14-10-27-4-1-21-14/h5-7,14,21H,1-4,8-11H2
InChIKeyALXKBYGNJDKPDA-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.22
Rot. Bonds5

About 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine

3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine (PubChem CID 166132330) has the molecular formula C17H21F3N6O2 and a molecular weight of 398.39 g/mol. Its IUPAC name is 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine.

Molecular Properties

Compound Name3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine
PubChem CID166132330
Molecular FormulaC17H21F3N6O2
Molecular Weight398.39 g/mol
Exact Mass398.17
IUPAC Name3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine
SMILESFC(F)(F)c1cnc(N2CCn3nc(COCC4COCCN4)cc3C2)nc1
InChIInChI=1S/C17H21F3N6O2/c18-17(19,20)12-6-22-16(23-7-12)25-2-3-26-15(8-25)5-13(24-26)9-28-11-14-10-27-4-1-21-14/h5-7,14,21H,1-4,8-11H2
InChIKeyALXKBYGNJDKPDA-UHFFFAOYSA-N
XLogP1.22
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine?
The IUPAC name of 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine (CID 166132330) is 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine.
What is the SMILES notation for 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine?
The canonical SMILES for 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine is FC(F)(F)c1cnc(N2CCn3nc(COCC4COCCN4)cc3C2)nc1.
What is the InChIKey of 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine?
The InChIKey is ALXKBYGNJDKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O2/c18-17(19,20)12-6-22-16(23-7-12)25-2-3-26-15(8-25)5-13(24-26)9-28-11-14-10-27-4-1-21-14/h5-7,14,21H,1-4,8-11H2.
What are the key properties of 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine?
3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine has a molecular weight of 398.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxymethyl]morpholine is sourced from PubChem (CID 166132330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).