6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one

C21H20ClN5O — CID 139027671

IUPAC6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one
SMILESCc1nc2c(c(N3CC(n4nc(-c5ccc(Cl)cc5)ccc4=O)C3)n1)CCC2
InChIInChI=1S/C21H20ClN5O/c1-13-23-19-4-2-3-17(19)21(24-13)26-11-16(12-26)27-20(28)10-9-18(25-27)14-5-7-15(22)8-6-14/h5-10,16H,2-4,11-12H2,1H3
InChIKeyXJQQDBIYOPVOEU-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.21
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one

6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one (PubChem CID 139027671) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one
PubChem CID139027671
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one
SMILESCc1nc2c(c(N3CC(n4nc(-c5ccc(Cl)cc5)ccc4=O)C3)n1)CCC2
InChIInChI=1S/C21H20ClN5O/c1-13-23-19-4-2-3-17(19)21(24-13)26-11-16(12-26)27-20(28)10-9-18(25-27)14-5-7-15(22)8-6-14/h5-10,16H,2-4,11-12H2,1H3
InChIKeyXJQQDBIYOPVOEU-UHFFFAOYSA-N
XLogP3.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126931918
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799268
6-methyl-3-[2-[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]pyrimidin-4-one
CID 155976871
6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139028939
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
2-methyl-4-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126932259
4-[5-(5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 163348073
2-methyl-4-[5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155976957
[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylpyrazol-4-yl)methanone
CID 155976842
N-(2,2-difluoroethyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidine-3-carboxamide
CID 175648123

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one (CID 139027671) is 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one is Cc1nc2c(c(N3CC(n4nc(-c5ccc(Cl)cc5)ccc4=O)C3)n1)CCC2.
What is the InChIKey of 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is XJQQDBIYOPVOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-13-23-19-4-2-3-17(19)21(24-13)26-11-16(12-26)27-20(28)10-9-18(25-27)14-5-7-15(22)8-6-14/h5-10,16H,2-4,11-12H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 393.88 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 139027671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).