6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one

C21H19ClN4O3S — CID 177184247

IUPAC6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3cnc(C4CC4)s3)C2)n1
InChIInChI=1S/C21H19ClN4O3S/c1-29-17-8-13(22)4-5-15(17)16-6-7-19(27)26(24-16)14-10-25(11-14)21(28)18-9-23-20(30-18)12-2-3-12/h4-9,12,14H,2-3,10-11H2,1H3
InChIKeyJLELPYQYCSFFRK-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.60
Rot. Bonds5

About 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one

6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one (PubChem CID 177184247) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
PubChem CID177184247
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3cnc(C4CC4)s3)C2)n1
InChIInChI=1S/C21H19ClN4O3S/c1-29-17-8-13(22)4-5-15(17)16-6-7-19(27)26(24-16)14-10-25(11-14)21(28)18-9-23-20(30-18)12-2-3-12/h4-9,12,14H,2-3,10-11H2,1H3
InChIKeyJLELPYQYCSFFRK-UHFFFAOYSA-N
XLogP3.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
CID 177184228
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
CID 177184137
2-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 146079070
6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one
CID 177184235
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
CID 177184254
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 177184277
2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one
CID 177184208
6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 139027528
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
CID 92586204
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121017205

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one (CID 177184247) is 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one is COc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3cnc(C4CC4)s3)C2)n1.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is JLELPYQYCSFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-29-17-8-13(22)4-5-15(17)16-6-7-19(27)26(24-16)14-10-25(11-14)21(28)18-9-23-20(30-18)12-2-3-12/h4-9,12,14H,2-3,10-11H2,1H3.
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 442.93 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 177184247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).