4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine

C21H23FN4O2 — CID 44548278

IUPAC4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(-c3cc(-c4cccc(OCCF)c4)[nH]n3)cn2)CCO1
InChIInChI=1S/C21H23FN4O2/c1-15-14-26(8-10-27-15)21-6-5-17(13-23-21)20-12-19(24-25-20)16-3-2-4-18(11-16)28-9-7-22/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,25)
InChIKeyYJJISFCZRIDLHV-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.71
Rot. Bonds6

About 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine

4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine (PubChem CID 44548278) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine
PubChem CID44548278
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2ccc(-c3cc(-c4cccc(OCCF)c4)[nH]n3)cn2)CCO1
InChIInChI=1S/C21H23FN4O2/c1-15-14-26(8-10-27-15)21-6-5-17(13-23-21)20-12-19(24-25-20)16-3-2-4-18(11-16)28-9-7-22/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,25)
InChIKeyYJJISFCZRIDLHV-UHFFFAOYSA-N
XLogP3.71
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine?
The IUPAC name of 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine (CID 44548278) is 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine is CC1CN(c2ccc(-c3cc(-c4cccc(OCCF)c4)[nH]n3)cn2)CCO1.
What is the InChIKey of 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine?
The InChIKey is YJJISFCZRIDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-15-14-26(8-10-27-15)21-6-5-17(13-23-21)20-12-19(24-25-20)16-3-2-4-18(11-16)28-9-7-22/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,25).
What are the key properties of 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine?
4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine has a molecular weight of 382.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]-2-pyridinyl]-2-methylmorpholine is sourced from PubChem (CID 44548278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).