6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one

C23H23ClN4O3 — CID 177184235

IUPAC6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one
SMILESCOc1cc(Cl)ccc1C1=NN(C2CN(C(=O)c3ncccc3C3CC3)C2)C(=O)CC1
InChIInChI=1S/C23H23ClN4O3/c1-31-20-11-15(24)6-7-18(20)19-8-9-21(29)28(26-19)16-12-27(13-16)23(30)22-17(14-4-5-14)3-2-10-25-22/h2-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,1H3
InChIKeyLMTYCZIZNXAQTJ-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.47
Rot. Bonds5

About 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one

6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one (PubChem CID 177184235) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one
PubChem CID177184235
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one
SMILESCOc1cc(Cl)ccc1C1=NN(C2CN(C(=O)c3ncccc3C3CC3)C2)C(=O)CC1
InChIInChI=1S/C23H23ClN4O3/c1-31-20-11-15(24)6-7-18(20)19-8-9-21(29)28(26-19)16-12-27(13-16)23(30)22-17(14-4-5-14)3-2-10-25-22/h2-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,1H3
InChIKeyLMTYCZIZNXAQTJ-UHFFFAOYSA-N
XLogP3.47
TPSA75.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
CID 177184228
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 177184247
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84579932
(4-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 136579367
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(5-chloro-2-methoxyphenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 71783565
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
3-[1-(5-chloro-2-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121017205
(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
CID 177184137

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one (CID 177184235) is 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one is COc1cc(Cl)ccc1C1=NN(C2CN(C(=O)c3ncccc3C3CC3)C2)C(=O)CC1.
What is the InChIKey of 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one?
The InChIKey is LMTYCZIZNXAQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-31-20-11-15(24)6-7-18(20)19-8-9-21(29)28(26-19)16-12-27(13-16)23(30)22-17(14-4-5-14)3-2-10-25-22/h2-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,1H3.
What are the key properties of 6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one?
6-(4-chloro-2-methoxyphenyl)-2-[1-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one has a molecular weight of 438.92 g/mol, XLogP of 3.47, 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-(3-cyclopropylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 177184235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).