2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine

C21H23FN4O — CID 132777763

IUPAC2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
SMILESCn1nccc1CN1CCOC(c2ccc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C21H23FN4O/c1-25-19(8-9-24-25)14-26-10-11-27-21(15-26)20-7-4-17(13-23-20)12-16-2-5-18(22)6-3-16/h2-9,13,21H,10-12,14-15H2,1H3
InChIKeyMKMLDAWOBNUYTJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.12
Rot. Bonds5

About 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine

2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine (PubChem CID 132777763) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
PubChem CID132777763
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
SMILESCn1nccc1CN1CCOC(c2ccc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C21H23FN4O/c1-25-19(8-9-24-25)14-26-10-11-27-21(15-26)20-7-4-17(13-23-20)12-16-2-5-18(22)6-3-16/h2-9,13,21H,10-12,14-15H2,1H3
InChIKeyMKMLDAWOBNUYTJ-UHFFFAOYSA-N
XLogP3.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine (CID 132777763) is 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine is Cn1nccc1CN1CCOC(c2ccc(Cc3ccc(F)cc3)cn2)C1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The InChIKey is MKMLDAWOBNUYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-19(8-9-24-25)14-26-10-11-27-21(15-26)20-7-4-17(13-23-20)12-16-2-5-18(22)6-3-16/h2-9,13,21H,10-12,14-15H2,1H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine has a molecular weight of 366.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 132777763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).