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

C21H28ClN5O2 — CID 121476441

IUPAC4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccccc3N3CCOCC3)C2)c(Cl)c1=O
InChIInChI=1S/C21H28ClN5O2/c1-25-21(28)20(22)18(13-23-25)24-17-6-4-8-26(15-17)14-16-5-2-3-7-19(16)27-9-11-29-12-10-27/h2-3,5,7,13,17,24H,4,6,8-12,14-15H2,1H3
InChIKeyORBLSXVINGCFRN-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.35
Rot. Bonds5

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

4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one (PubChem CID 121476441) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
PubChem CID121476441
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(Cc3ccccc3N3CCOCC3)C2)c(Cl)c1=O
InChIInChI=1S/C21H28ClN5O2/c1-25-21(28)20(22)18(13-23-25)24-17-6-4-8-26(15-17)14-16-5-2-3-7-19(16)27-9-11-29-12-10-27/h2-3,5,7,13,17,24H,4,6,8-12,14-15H2,1H3
InChIKeyORBLSXVINGCFRN-UHFFFAOYSA-N
XLogP2.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one (CID 121476441) is 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one is Cn1ncc(NC2CCCN(Cc3ccccc3N3CCOCC3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is ORBLSXVINGCFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-25-21(28)20(22)18(13-23-25)24-17-6-4-8-26(15-17)14-16-5-2-3-7-19(16)27-9-11-29-12-10-27/h2-3,5,7,13,17,24H,4,6,8-12,14-15H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 417.94 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[1-[(2-morpholin-4-ylphenyl)methyl]piperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 121476441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).