(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

C18H18Cl2N4O — CID 122281052

IUPAC(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C18H18Cl2N4O/c19-13-4-5-15(20)14(11-13)18(25)24-8-6-23(7-9-24)17-10-12-2-1-3-16(12)21-22-17/h4-5,10-11H,1-3,6-9H2
InChIKeyJUPURUBMENJMPK-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.23
Rot. Bonds2

About (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122281052) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122281052
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C18H18Cl2N4O/c19-13-4-5-15(20)14(11-13)18(25)24-8-6-23(7-9-24)17-10-12-2-1-3-16(12)21-22-17/h4-5,10-11H,1-3,6-9H2
InChIKeyJUPURUBMENJMPK-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281038
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
2-(4-chlorophenyl)-1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122281075
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
(E)-3-(4-chlorophenyl)-1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 122281358
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 122281039
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122281108
1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281135
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 122281417
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (CID 122281052) is (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JUPURUBMENJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c19-13-4-5-15(20)14(11-13)18(25)24-8-6-23(7-9-24)17-10-12-2-1-3-16(12)21-22-17/h4-5,10-11H,1-3,6-9H2.
What are the key properties of (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 377.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122281052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).