5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one

C21H21ClN4O3 — CID 122184885

IUPAC5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)cc1
InChIInChI=1S/C21H21ClN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3
InChIKeyVFUNTQYESAEXRV-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.82
Rot. Bonds8

About 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one

5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one (PubChem CID 122184885) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one
PubChem CID122184885
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)cc1
InChIInChI=1S/C21H21ClN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3
InChIKeyVFUNTQYESAEXRV-UHFFFAOYSA-N
XLogP2.82
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]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 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one (CID 122184885) is 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one is CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)cc1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is VFUNTQYESAEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3.
What are the key properties of 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one?
5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 412.88 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122184885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).