6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one

C20H20ClN5O3 — CID 164896832

IUPAC6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESC[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C20H20ClN5O3/c1-13-12-29-8-7-25(13)19(27)17-9-18(14-3-5-15(21)6-4-14)23-26(20(17)28)16-10-22-24(2)11-16/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m0/s1
InChIKeyLYQVQOIAIOVBCK-ZDUSSCGKSA-N
MW413.87 g/mol
LogP2.15
Rot. Bonds3

About 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one

6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one (PubChem CID 164896832) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one
PubChem CID164896832
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one
SMILESC[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C20H20ClN5O3/c1-13-12-29-8-7-25(13)19(27)17-9-18(14-3-5-15(21)6-4-14)23-26(20(17)28)16-10-22-24(2)11-16/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m0/s1
InChIKeyLYQVQOIAIOVBCK-ZDUSSCGKSA-N
XLogP2.15
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chlorophenyl)-4-(5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 164896823
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
CID 142411209
6-(4-chlorophenyl)-N-[(3R)-4-hydroxyoxolan-3-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155351363
6-(4-chlorophenyl)-N-[(1S)-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147983067
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 164896875
6-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)propyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 164896836
N-[1-acetyl-4-(hydroxymethyl)piperidin-4-yl]-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 164896802
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
6-(4-chlorophenyl)-N-(5-cyano-2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 175278175

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one (CID 164896832) is 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one is C[C@H]1COCCN1C(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
The InChIKey is LYQVQOIAIOVBCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c1-13-12-29-8-7-25(13)19(27)17-9-18(14-3-5-15(21)6-4-14)23-26(20(17)28)16-10-22-24(2)11-16/h3-6,9-11,13H,7-8,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one?
6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one has a molecular weight of 413.87 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-[(3S)-3-methylmorpholine-4-carbonyl]-2-(1-methylpyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 164896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).