6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one

C17H23ClN4O3 — CID 59940988

IUPAC6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
SMILESO=C([C@@H]1CCCN1C(=O)CCCn1nc(Cl)ccc1=O)N1CCCC1
InChIInChI=1S/C17H23ClN4O3/c18-14-7-8-16(24)22(19-14)12-4-6-15(23)21-11-3-5-13(21)17(25)20-9-1-2-10-20/h7-8,13H,1-6,9-12H2/t13-/m0/s1
InChIKeyDXUUHIOTVGJNEP-ZDUSSCGKSA-N
MW366.85 g/mol
LogP1.29
Rot. Bonds5

About 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one

6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one (PubChem CID 59940988) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
PubChem CID59940988
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
SMILESO=C([C@@H]1CCCN1C(=O)CCCn1nc(Cl)ccc1=O)N1CCCC1
InChIInChI=1S/C17H23ClN4O3/c18-14-7-8-16(24)22(19-14)12-4-6-15(23)21-11-3-5-13(21)17(25)20-9-1-2-10-20/h7-8,13H,1-6,9-12H2/t13-/m0/s1
InChIKeyDXUUHIOTVGJNEP-ZDUSSCGKSA-N
XLogP1.29
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one with MolForge

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Related Compounds

4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
4-phenyl-1-[2-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 15080758
3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 59940898
1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 82031417
N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide
CID 59940953
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 166358142
4-methyl-2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 59940987
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one (CID 59940988) is 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one is O=C([C@@H]1CCCN1C(=O)CCCn1nc(Cl)ccc1=O)N1CCCC1.
What is the InChIKey of 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one?
The InChIKey is DXUUHIOTVGJNEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c18-14-7-8-16(24)22(19-14)12-4-6-15(23)21-11-3-5-13(21)17(25)20-9-1-2-10-20/h7-8,13H,1-6,9-12H2/t13-/m0/s1.
What are the key properties of 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one?
6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one has a molecular weight of 366.85 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one is sourced from PubChem (CID 59940988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).