2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C20H21FN4O — CID 118740141

IUPAC2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1
InChIInChI=1S/C20H21FN4O/c1-24-12-15(11-22-24)13-25-8-9-26-20(14-25)19-7-3-6-18(23-19)16-4-2-5-17(21)10-16/h2-7,10-12,20H,8-9,13-14H2,1H3
InChIKeyCFGZEIAULUEAMA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds4

About 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 118740141) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID118740141
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1
InChIInChI=1S/C20H21FN4O/c1-24-12-15(11-22-24)13-25-8-9-26-20(14-25)19-7-3-6-18(23-19)16-4-2-5-17(21)10-16/h2-7,10-12,20H,8-9,13-14H2,1H3
InChIKeyCFGZEIAULUEAMA-UHFFFAOYSA-N
XLogP3.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine 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 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 118740141) is 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cn1cc(CN2CCOC(c3cccc(-c4cccc(F)c4)n3)C2)cn1.
What is the InChIKey of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is CFGZEIAULUEAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24-12-15(11-22-24)13-25-8-9-26-20(14-25)19-7-3-6-18(23-19)16-4-2-5-17(21)10-16/h2-7,10-12,20H,8-9,13-14H2,1H3.
What are the key properties of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 352.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 118740141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).