6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

C22H24FN5O4 — CID 127248594

IUPAC6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C22H24FN5O4/c1-26-15(9-11-31-19-6-4-3-5-16(19)23)13-18(25-26)20-14-28(10-12-32-20)22(30)17-7-8-21(29)27(2)24-17/h3-8,13,20H,9-12,14H2,1-2H3
InChIKeyKHZGAHWCXDMDIA-UHFFFAOYSA-N
MW441.46 g/mol
LogP1.49
Rot. Bonds6

About 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one (PubChem CID 127248594) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one
PubChem CID127248594
Molecular FormulaC22H24FN5O4
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)cc1CCOc1ccccc1F
InChIInChI=1S/C22H24FN5O4/c1-26-15(9-11-31-19-6-4-3-5-16(19)23)13-18(25-26)20-14-28(10-12-32-20)22(30)17-7-8-21(29)27(2)24-17/h3-8,13,20H,9-12,14H2,1-2H3
InChIKeyKHZGAHWCXDMDIA-UHFFFAOYSA-N
XLogP1.49
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
N-[2-[(2R)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 124978380
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
2,2-dimethyl-1-[(2R)-2-[1-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]propan-1-one
CID 125027088
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
5-[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 124999007
methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
CID 78926657
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 124984679
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one (CID 127248594) is 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)cc1CCOc1ccccc1F.
What is the InChIKey of 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is KHZGAHWCXDMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4/c1-26-15(9-11-31-19-6-4-3-5-16(19)23)13-18(25-26)20-14-28(10-12-32-20)22(30)17-7-8-21(29)27(2)24-17/h3-8,13,20H,9-12,14H2,1-2H3.
What are the key properties of 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one?
6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 441.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 127248594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).