5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

C15H16ClN5O3 — CID 138483793

IUPAC5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccc(CN2CCN(c3cn[nH]c(=O)c3Cl)CC2=O)cn1
InChIInChI=1S/C15H16ClN5O3/c1-24-12-3-2-10(6-17-12)8-21-5-4-20(9-13(21)22)11-7-18-19-15(23)14(11)16/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,23)
InChIKeyIXCYWPPETFSWOY-UHFFFAOYSA-N
MW349.78 g/mol
LogP0.68
Rot. Bonds4

About 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483793) has the molecular formula C15H16ClN5O3 and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483793
Molecular FormulaC15H16ClN5O3
Molecular Weight349.78 g/mol
Exact Mass349.09
IUPAC Name5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESCOc1ccc(CN2CCN(c3cn[nH]c(=O)c3Cl)CC2=O)cn1
InChIInChI=1S/C15H16ClN5O3/c1-24-12-3-2-10(6-17-12)8-21-5-4-20(9-13(21)22)11-7-18-19-15(23)14(11)16/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,23)
InChIKeyIXCYWPPETFSWOY-UHFFFAOYSA-N
XLogP0.68
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-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 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (CID 138483793) is 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is COc1ccc(CN2CCN(c3cn[nH]c(=O)c3Cl)CC2=O)cn1.
What is the InChIKey of 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is IXCYWPPETFSWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O3/c1-24-12-3-2-10(6-17-12)8-21-5-4-20(9-13(21)22)11-7-18-19-15(23)14(11)16/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,23).
What are the key properties of 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 349.78 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).