4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one

C17H22ClN5O — CID 121476445

IUPAC4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
SMILESCc1cncc(CN2CCCC(Nc3cnn(C)c(=O)c3Cl)C2)c1
InChIInChI=1S/C17H22ClN5O/c1-12-6-13(8-19-7-12)10-23-5-3-4-14(11-23)21-15-9-20-22(2)17(24)16(15)18/h6-9,14,21H,3-5,10-11H2,1-2H3
InChIKeyMKFXKMFXWYVNHE-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one

4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one (PubChem CID 121476445) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
PubChem CID121476445
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
SMILESCc1cncc(CN2CCCC(Nc3cnn(C)c(=O)c3Cl)C2)c1
InChIInChI=1S/C17H22ClN5O/c1-12-6-13(8-19-7-12)10-23-5-3-4-14(11-23)21-15-9-20-22(2)17(24)16(15)18/h6-9,14,21H,3-5,10-11H2,1-2H3
InChIKeyMKFXKMFXWYVNHE-UHFFFAOYSA-N
XLogP2.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]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-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one (CID 121476445) is 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one is Cc1cncc(CN2CCCC(Nc3cnn(C)c(=O)c3Cl)C2)c1.
What is the InChIKey of 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is MKFXKMFXWYVNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-12-6-13(8-19-7-12)10-23-5-3-4-14(11-23)21-15-9-20-22(2)17(24)16(15)18/h6-9,14,21H,3-5,10-11H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 347.85 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 121476445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).