1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

C19H19FN4O2 — CID 92578316

IUPAC1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1
InChIInChI=1S/C19H19FN4O2/c20-16-3-2-14-12-21-17(11-15(14)10-16)18-13-23(8-9-26-18)19(25)4-7-24-6-1-5-22-24/h1-3,5-6,10-12,18H,4,7-9,13H2/t18-/m1/s1
InChIKeyOOHVORZJYVJVFA-GOSISDBHSA-N
MW354.38 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 92578316) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID92578316
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1
InChIInChI=1S/C19H19FN4O2/c20-16-3-2-14-12-21-17(11-15(14)10-16)18-13-23(8-9-26-18)19(25)4-7-24-6-1-5-22-24/h1-3,5-6,10-12,18H,4,7-9,13H2/t18-/m1/s1
InChIKeyOOHVORZJYVJVFA-GOSISDBHSA-N
XLogP2.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-[(2R)-2-isoquinolin-3-ylmorpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92576978
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 127250796
3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 110218682
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92598325
3-pyrazol-1-yl-1-[(2S)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92568307
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 94393017
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
CID 92594288
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912
3-(3-methylpyrazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]propan-1-one
CID 124946669
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (CID 92578316) is 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1.
What is the InChIKey of 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is OOHVORZJYVJVFA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-3-2-14-12-21-17(11-15(14)10-16)18-13-23(8-9-26-18)19(25)4-7-24-6-1-5-22-24/h1-3,5-6,10-12,18H,4,7-9,13H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 354.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 92578316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).