(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine

C19H19FN4O — CID 95567421

IUPAC(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
SMILESFc1ccc([C@H]2CN(Cn3nccc3-c3cccnc3)CCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)19-13-23(10-11-25-19)14-24-18(7-9-22-24)16-2-1-8-21-12-16/h1-9,12,19H,10-11,13-14H2/t19-/m1/s1
InChIKeyNACSTFIIKIWWIP-LJQANCHMSA-N
MW338.39 g/mol
LogP3.12
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine

(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine (PubChem CID 95567421) 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-3-ylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
PubChem CID95567421
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
SMILESFc1ccc([C@H]2CN(Cn3nccc3-c3cccnc3)CCO2)cc1
InChIInChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)19-13-23(10-11-25-19)14-24-18(7-9-22-24)16-2-1-8-21-12-16/h1-9,12,19H,10-11,13-14H2/t19-/m1/s1
InChIKeyNACSTFIIKIWWIP-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

(2R,6R)-10-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86297989
1'-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561400
1'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561402
1'-[[3-methyl-1-(4-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561453
1'-[[3-methyl-1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561493
2-[3-(4-fluorophenyl)-5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-1,2,4-triazol-1-yl]pyrimidine
CID 68212649
4-[(5-Pyridin-3-ylpyrazol-1-yl)methyl]morpholine
CID 47084425
4-[(2-Methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 118739858
2-[3-(3-Fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 118740130
2-[6-(3-Fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 118740141
4-[(1-Methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 118747454
4-[(2-Methylpyrazol-3-yl)methyl]-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 118747456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine (CID 95567421) is (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine is Fc1ccc([C@H]2CN(Cn3nccc3-c3cccnc3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
The InChIKey is NACSTFIIKIWWIP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-5-3-15(4-6-17)19-13-23(10-11-25-19)14-24-18(7-9-22-24)16-2-1-8-21-12-16/h1-9,12,19H,10-11,13-14H2/t19-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine?
(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-3-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-3-ylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95567421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).