5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane

C21H26ClN5O — CID 142546803

IUPAC5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cccc(C)c1Cn1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H20ClN5O.C2H6/c1-12-4-3-5-13(2)14(12)9-25-11-21-15-10-24(7-6-16(15)25)17-8-22-23-19(26)18(17)20;1-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,23,26);1-2H3
InChIKeyXNDZJNVNHOWPHU-UHFFFAOYSA-N
MW399.93 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane

5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane (PubChem CID 142546803) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane
PubChem CID142546803
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane
SMILESCC.Cc1cccc(C)c1Cn1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H20ClN5O.C2H6/c1-12-4-3-5-13(2)14(12)9-25-11-21-15-10-24(7-6-16(15)25)17-8-22-23-19(26)18(17)20;1-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,23,26);1-2H3
InChIKeyXNDZJNVNHOWPHU-UHFFFAOYSA-N
XLogP3.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483892
4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine
CID 142546985
5-chloro-4-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethene
CID 142547065
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 165047434
5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 163651326
5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818874
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
5-chloro-4-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 146448092
5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 138484365
5-chloro-4-[1-[(1R)-1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138472099
5-chloro-4-[1-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471781
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane?
The IUPAC name of 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane (CID 142546803) is 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane.
What is the SMILES notation for 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane?
The canonical SMILES for 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane is CC.Cc1cccc(C)c1Cn1cnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane?
The InChIKey is XNDZJNVNHOWPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C2H6/c1-12-4-3-5-13(2)14(12)9-25-11-21-15-10-24(7-6-16(15)25)17-8-22-23-19(26)18(17)20;1-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,23,26);1-2H3.
What are the key properties of 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane?
5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane has a molecular weight of 399.93 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 142546803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).