4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one

C19H21Cl3N4O — CID 112841181

IUPAC4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C19H21Cl3N4O/c20-15-9-14(26-19(27)18(22)16(21)10-23-26)3-4-17(15)24-13-5-7-25(8-6-13)11-12-1-2-12/h3-4,9-10,12-13,24H,1-2,5-8,11H2
InChIKeyGWWMJAIZLUVUOP-UHFFFAOYSA-N
MW427.76 g/mol
LogP4.48
Rot. Bonds5

About 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one (PubChem CID 112841181) has the molecular formula C19H21Cl3N4O and a molecular weight of 427.76 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one
PubChem CID112841181
Molecular FormulaC19H21Cl3N4O
Molecular Weight427.76 g/mol
Exact Mass426.08
IUPAC Name4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C19H21Cl3N4O/c20-15-9-14(26-19(27)18(22)16(21)10-23-26)3-4-17(15)24-13-5-7-25(8-6-13)11-12-1-2-12/h3-4,9-10,12-13,24H,1-2,5-8,11H2
InChIKeyGWWMJAIZLUVUOP-UHFFFAOYSA-N
XLogP4.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one (CID 112841181) is 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NC2CCN(CC3CC3)CC2)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one?
The InChIKey is GWWMJAIZLUVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N4O/c20-15-9-14(26-19(27)18(22)16(21)10-23-26)3-4-17(15)24-13-5-7-25(8-6-13)11-12-1-2-12/h3-4,9-10,12-13,24H,1-2,5-8,11H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one has a molecular weight of 427.76 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[[1-(cyclopropylmethyl)piperidin-4-yl]amino]phenyl]pyridazin-3-one is sourced from PubChem (CID 112841181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).