4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one

C15H15Cl2FN4O — CID 133438936

IUPAC4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(c3ccc(F)c(Cl)c3)C2)c(Cl)c1=O
InChIInChI=1S/C15H15Cl2FN4O/c1-21-15(23)14(17)13(7-19-21)20-9-4-5-22(8-9)10-2-3-12(18)11(16)6-10/h2-3,6-7,9,20H,4-5,8H2,1H3
InChIKeyBYFAPPVTKHMKNB-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.92
Rot. Bonds3

About 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one (PubChem CID 133438936) has the molecular formula C15H15Cl2FN4O and a molecular weight of 357.22 g/mol. Its IUPAC name is 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
PubChem CID133438936
Molecular FormulaC15H15Cl2FN4O
Molecular Weight357.22 g/mol
Exact Mass356.06
IUPAC Name4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(c3ccc(F)c(Cl)c3)C2)c(Cl)c1=O
InChIInChI=1S/C15H15Cl2FN4O/c1-21-15(23)14(17)13(7-19-21)20-9-4-5-22(8-9)10-2-3-12(18)11(16)6-10/h2-3,6-7,9,20H,4-5,8H2,1H3
InChIKeyBYFAPPVTKHMKNB-UHFFFAOYSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 97055677
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-5-methylpyrimidin-2-amine
CID 133438905
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133438886
4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
CID 133376432

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one (CID 133438936) is 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one is Cn1ncc(NC2CCN(c3ccc(F)c(Cl)c3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is BYFAPPVTKHMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN4O/c1-21-15(23)14(17)13(7-19-21)20-9-4-5-22(8-9)10-2-3-12(18)11(16)6-10/h2-3,6-7,9,20H,4-5,8H2,1H3.
What are the key properties of 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 357.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133438936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).