(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine

C19H19FN4O — CID 95158235

IUPAC(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
SMILESFc1ccc([C@H]2CN(Cn3nccc3-c3ccncc3)CCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-3-1-16(2-4-17)19-13-23(11-12-25-19)14-24-18(7-10-22-24)15-5-8-21-9-6-15/h1-10,19H,11-14H2/t19-/m1/s1
InChIKeyAYEYJXDFMOVGPA-LJQANCHMSA-N
MW338.39 g/mol
LogP3.12
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine

(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine (PubChem CID 95158235) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
PubChem CID95158235
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
SMILESFc1ccc([C@H]2CN(Cn3nccc3-c3ccncc3)CCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-3-1-16(2-4-17)19-13-23(11-12-25-19)14-24-18(7-10-22-24)15-5-8-21-9-6-15/h1-10,19H,11-14H2/t19-/m1/s1
InChIKeyAYEYJXDFMOVGPA-LJQANCHMSA-N
XLogP3.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 30807734
4,5-dicyclopropyl-2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2,4-triazole-3-thione
CID 42949677
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 78849101
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55565593
4-ethyl-2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-5-(furan-2-yl)-1,2,4-triazole-3-thione
CID 134020098
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120980907
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 111104469
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42949673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine (CID 95158235) is (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine is Fc1ccc([C@H]2CN(Cn3nccc3-c3ccncc3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine?
The InChIKey is AYEYJXDFMOVGPA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-3-1-16(2-4-17)19-13-23(11-12-25-19)14-24-18(7-10-22-24)15-5-8-21-9-6-15/h1-10,19H,11-14H2/t19-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine?
(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine has a molecular weight of 338.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95158235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).