6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one

C20H25ClN4O — CID 67354673

IUPAC6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CN(C)C)c3)c21
InChIInChI=1S/C20H25ClN4O/c1-4-5-6-10-25-18-17(16(21)12-22-19(18)23-20(25)26)15-9-7-8-14(11-15)13-24(2)3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,22,23,26)
InChIKeyYJPGMPSSFNYTTC-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.30
Rot. Bonds7

About 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67354673) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67354673
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CN(C)C)c3)c21
InChIInChI=1S/C20H25ClN4O/c1-4-5-6-10-25-18-17(16(21)12-22-19(18)23-20(25)26)15-9-7-8-14(11-15)13-24(2)3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,22,23,26)
InChIKeyYJPGMPSSFNYTTC-UHFFFAOYSA-N
XLogP4.30
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 67353212
6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
CID 67355313
N-[(6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridin-7-yl)methyl]-N-methylacetamide
CID 68737544
6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68738502
1-benzyl-7-butyl-3H-purine-2,6-dione
CID 101429168
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione
CID 11781054
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
N-(3-butyl-1,5-dimethylpyrazol-4-yl)-4-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
CID 58561331

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (CID 67354673) is 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccc(CN(C)C)c3)c21.
What is the InChIKey of 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is YJPGMPSSFNYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-4-5-6-10-25-18-17(16(21)12-22-19(18)23-20(25)26)15-9-7-8-14(11-15)13-24(2)3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,22,23,26).
What are the key properties of 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 372.90 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[3-[(dimethylamino)methyl]phenyl]-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67354673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).