6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one

C24H22ClN3O3 — CID 177184228

IUPAC6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3ccccc3C3CC3)C2)n1
InChIInChI=1S/C24H22ClN3O3/c1-31-22-12-16(25)8-9-20(22)21-10-11-23(29)28(26-21)17-13-27(14-17)24(30)19-5-3-2-4-18(19)15-6-7-15/h2-5,8-12,15,17H,6-7,13-14H2,1H3
InChIKeyWJFPDTCDHDPDHP-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.15
Rot. Bonds5

About 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one

6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one (PubChem CID 177184228) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
PubChem CID177184228
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
SMILESCOc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3ccccc3C3CC3)C2)n1
InChIInChI=1S/C24H22ClN3O3/c1-31-22-12-16(25)8-9-20(22)21-10-11-23(29)28(26-21)17-13-27(14-17)24(30)19-5-3-2-4-18(19)15-6-7-15/h2-5,8-12,15,17H,6-7,13-14H2,1H3
InChIKeyWJFPDTCDHDPDHP-UHFFFAOYSA-N
XLogP4.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 177184247
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
CID 177184137
6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one
CID 177184235
2-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 146079070
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
5-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 73167665
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-phenylcyclobutane-1-carboxamide
CID 177184254
6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 139027528
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one (CID 177184228) is 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one is COc1cc(Cl)ccc1-c1ccc(=O)n(C2CN(C(=O)c3ccccc3C3CC3)C2)n1.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is WJFPDTCDHDPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-31-22-12-16(25)8-9-20(22)21-10-11-23(29)28(26-21)17-13-27(14-17)24(30)19-5-3-2-4-18(19)15-6-7-15/h2-5,8-12,15,17H,6-7,13-14H2,1H3.
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one?
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 435.91 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 177184228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).