(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

C19H20FN5O — CID 125007383

IUPAC(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyUMZCKCCWGMYNAS-QGZVFWFLSA-N
MW353.40 g/mol
LogP2.59
Rot. Bonds4

About (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (PubChem CID 125007383) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
PubChem CID125007383
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3/t17-/m1/s1
InChIKeyUMZCKCCWGMYNAS-QGZVFWFLSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
CID 127251158
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
(5aS,8aS)-7-[(3-fluorophenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine;bis(2,2,2-trifluoroacetic acid)
CID 155825634
3-(3-fluorophenoxy)-1-[2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
CID 132772202
3-(3-fluorophenoxy)-1-[(2S)-2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one
CID 129360718
(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124941763
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The IUPAC name of (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine (CID 125007383) is (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is Cn1cc(CN2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1.
What is the InChIKey of (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
The InChIKey is UMZCKCCWGMYNAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24-11-14(10-23-24)12-25-7-8-26-17(13-25)19-18(21-5-6-22-19)15-3-2-4-16(20)9-15/h2-6,9-11,17H,7-8,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine?
(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine has a molecular weight of 353.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine is sourced from PubChem (CID 125007383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).