4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one

C19H22ClN5O2 — CID 119270199

IUPAC4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(C1CCCN1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H22ClN5O2/c20-17-16(13-22-25(19(17)27)14-5-2-1-3-6-14)23-9-11-24(12-10-23)18(26)15-7-4-8-21-15/h1-3,5-6,13,15,21H,4,7-12H2
InChIKeyFWCQECIMWUMSFM-UHFFFAOYSA-N
MW387.87 g/mol
LogP1.29
Rot. Bonds3

About 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 119270199) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID119270199
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(C1CCCN1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H22ClN5O2/c20-17-16(13-22-25(19(17)27)14-5-2-1-3-6-14)23-9-11-24(12-10-23)18(26)15-7-4-8-21-15/h1-3,5-6,13,15,21H,4,7-12H2
InChIKeyFWCQECIMWUMSFM-UHFFFAOYSA-N
XLogP1.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]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

Related Compounds

5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 2958911
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
5-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 26701139
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 126827187
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 119270199) is 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one is O=C(C1CCCN1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is FWCQECIMWUMSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-17-16(13-22-25(19(17)27)14-5-2-1-3-6-14)23-9-11-24(12-10-23)18(26)15-7-4-8-21-15/h1-3,5-6,13,15,21H,4,7-12H2.
What are the key properties of 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 387.87 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 119270199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).