3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one

C20H20ClFN4O2 — CID 110218682

IUPAC3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(Cn1cc(Cl)cn1)C(=O)N1CCOC(c2cc3cc(F)ccc3cn2)C1
InChIInChI=1S/C20H20ClFN4O2/c1-13(10-26-11-16(21)9-24-26)20(27)25-4-5-28-19(12-25)18-7-15-6-17(22)3-2-14(15)8-23-18/h2-3,6-9,11,13,19H,4-5,10,12H2,1H3
InChIKeyFUTNKKILFOBSMM-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one

3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 110218682) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
PubChem CID110218682
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(Cn1cc(Cl)cn1)C(=O)N1CCOC(c2cc3cc(F)ccc3cn2)C1
InChIInChI=1S/C20H20ClFN4O2/c1-13(10-26-11-16(21)9-24-26)20(27)25-4-5-28-19(12-25)18-7-15-6-17(22)3-2-14(15)8-23-18/h2-3,6-9,11,13,19H,4-5,10,12H2,1H3
InChIKeyFUTNKKILFOBSMM-UHFFFAOYSA-N
XLogP3.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 92578316
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 39891762
[(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
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]methanone
CID 92594288
3-(4-chloropyrazol-1-yl)-2-methyl-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]propan-1-one
CID 110281112
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
3-(4-bromopyrazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 19540291
4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
3-(4-bromopyrazol-1-yl)-1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 19540288

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one (CID 110218682) is 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one is CC(Cn1cc(Cl)cn1)C(=O)N1CCOC(c2cc3cc(F)ccc3cn2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is FUTNKKILFOBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-13(10-26-11-16(21)9-24-26)20(27)25-4-5-28-19(12-25)18-7-15-6-17(22)3-2-14(15)8-23-18/h2-3,6-9,11,13,19H,4-5,10,12H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one?
3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 402.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110218682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).