(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine

C19H19FN4O — CID 124939802

IUPAC(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1cccc(-c2cccc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n2)c1
InChIInChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyABYGPVWVZGQIIL-SFHVURJKSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds4

About (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine

(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 124939802) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID124939802
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1cccc(-c2cccc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n2)c1
InChIInChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyABYGPVWVZGQIIL-SFHVURJKSA-N
XLogP3.18
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB-210313
CID 9885504
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-2-ylmethyl)-2-phenyl-piperidine
CID 10814682
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-4-ylmethyl)-2-phenyl-piperidine
CID 11799022
(2R,3S,5R)-5-(2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 72188905
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methyl-piperidin-4-ol
CID 10338084
4-[5-(4-Fluoro-phenyl)-2-piperidin-3-yl-3H-imidazol-4-yl]-pyridine
CID 10591928
1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
(2R,3S,5R)-5-[2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 16725327
2-((1-hydroxy)cyclohexyl)-4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazole
CID 18367514
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
2-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1-[4-(5-fluoropyridin-2-yl)phenyl]propan-2-ol
CID 25055504
4-[3-[6-(Ethoxymethyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine (CID 124939802) is (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine is Fc1cccc(-c2cccc([C@@H]3CN(Cc4ncc[nH]4)CCO3)n2)c1.
What is the InChIKey of (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is ABYGPVWVZGQIIL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 338.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 124939802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).