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

C22H25FN4O — CID 127251499

IUPAC2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1cc(Cc2ccc(F)cc2)cc(C2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C22H25FN4O/c1-16-9-18(10-17-3-5-20(23)6-4-17)11-21(25-16)22-15-27(7-8-28-22)14-19-12-24-26(2)13-19/h3-6,9,11-13,22H,7-8,10,14-15H2,1-2H3
InChIKeyDDUOOIQJPBOPPK-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.43
Rot. Bonds5

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

2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 127251499) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID127251499
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCc1cc(Cc2ccc(F)cc2)cc(C2CN(Cc3cnn(C)c3)CCO2)n1
InChIInChI=1S/C22H25FN4O/c1-16-9-18(10-17-3-5-20(23)6-4-17)11-21(25-16)22-15-27(7-8-28-22)14-19-12-24-26(2)13-19/h3-6,9,11-13,22H,7-8,10,14-15H2,1-2H3
InChIKeyDDUOOIQJPBOPPK-UHFFFAOYSA-N
XLogP3.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 127251499) is 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cc1cc(Cc2ccc(F)cc2)cc(C2CN(Cc3cnn(C)c3)CCO2)n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is DDUOOIQJPBOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-9-18(10-17-3-5-20(23)6-4-17)11-21(25-16)22-15-27(7-8-28-22)14-19-12-24-26(2)13-19/h3-6,9,11-13,22H,7-8,10,14-15H2,1-2H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 127251499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).