4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine

C19H21ClN6O — CID 142546985

IUPAC4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3)C2)c1Cl.[H]/N=C/C
InChIInChI=1S/C17H16ClN5O.C2H5N/c18-16-15(8-20-21-17(16)24)22-7-6-14-13(10-22)19-11-23(14)9-12-4-2-1-3-5-12;1-2-3/h1-5,8,11H,6-7,9-10H2,(H,21,24);2-3H,1H3/b;3-2+
InChIKeyUJJLOORXJRQHGI-ZPYUXNTASA-N
MW384.87 g/mol
LogP2.89
Rot. Bonds3

About 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine

4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine (PubChem CID 142546985) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine.

Molecular Properties

Compound Name4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine
PubChem CID142546985
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine
SMILESO=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3)C2)c1Cl.[H]/N=C/C
InChIInChI=1S/C17H16ClN5O.C2H5N/c18-16-15(8-20-21-17(16)24)22-7-6-14-13(10-22)19-11-23(14)9-12-4-2-1-3-5-12;1-2-3/h1-5,8,11H,6-7,9-10H2,(H,21,24);2-3H,1H3/b;3-2+
InChIKeyUJJLOORXJRQHGI-ZPYUXNTASA-N
XLogP2.89
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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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
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
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-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-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 163651326
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-[[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-[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-(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-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471903
5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 138484365

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine?
The IUPAC name of 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine (CID 142546985) is 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine.
What is the SMILES notation for 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine?
The canonical SMILES for 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine is O=c1[nH]ncc(N2CCc3c(ncn3Cc3ccccc3)C2)c1Cl.[H]/N=C/C.
What is the InChIKey of 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine?
The InChIKey is UJJLOORXJRQHGI-ZPYUXNTASA-N. The full InChI is InChI=1S/C17H16ClN5O.C2H5N/c18-16-15(8-20-21-17(16)24)22-7-6-14-13(10-22)19-11-23(14)9-12-4-2-1-3-5-12;1-2-3/h1-5,8,11H,6-7,9-10H2,(H,21,24);2-3H,1H3/b;3-2+.
What are the key properties of 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine?
4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine has a molecular weight of 384.87 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-chloro-1H-pyridazin-6-one;ethanimine is sourced from PubChem (CID 142546985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).