5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride

C19H21ClN4O2 — CID 139446985

IUPAC5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride
SMILESCn1c(=O)n(Cc2ccccc2)c2cc(NCCCCC(=O)Cl)cnc21
InChIInChI=1S/C19H21ClN4O2/c1-23-18-16(24(19(23)26)13-14-7-3-2-4-8-14)11-15(12-22-18)21-10-6-5-9-17(20)25/h2-4,7-8,11-12,21H,5-6,9-10,13H2,1H3
InChIKeyQOEFYVUVBGHXEH-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.13
Rot. Bonds8

About 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride

5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride (PubChem CID 139446985) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride.

Molecular Properties

Compound Name5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride
PubChem CID139446985
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride
SMILESCn1c(=O)n(Cc2ccccc2)c2cc(NCCCCC(=O)Cl)cnc21
InChIInChI=1S/C19H21ClN4O2/c1-23-18-16(24(19(23)26)13-14-7-3-2-4-8-14)11-15(12-22-18)21-10-6-5-9-17(20)25/h2-4,7-8,11-12,21H,5-6,9-10,13H2,1H3
InChIKeyQOEFYVUVBGHXEH-UHFFFAOYSA-N
XLogP3.13
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide
CID 129248502
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-3-chloro-N-methylpropanamide
CID 129248593
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
methyl 3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxylate
CID 59926336
9-benzyl-1,7-dimethylpurine-6,8-dione
CID 163811964
2-chloro-7-[(4-fluorophenyl)methyl]-9-methylpurin-8-one
CID 172635974
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
CID 71841245
2-(1,7-dibenzyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid
CID 82018291
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
8-(2-aminoethylamino)-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 5037021
1-(3-amino-3-oxopropyl)-3-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid
CID 50965570

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride?
The IUPAC name of 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride (CID 139446985) is 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride.
What is the SMILES notation for 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride?
The canonical SMILES for 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride is Cn1c(=O)n(Cc2ccccc2)c2cc(NCCCCC(=O)Cl)cnc21.
What is the InChIKey of 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride?
The InChIKey is QOEFYVUVBGHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-23-18-16(24(19(23)26)13-14-7-3-2-4-8-14)11-15(12-22-18)21-10-6-5-9-17(20)25/h2-4,7-8,11-12,21H,5-6,9-10,13H2,1H3.
What are the key properties of 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride?
5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride has a molecular weight of 372.86 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)amino]pentanoyl chloride is sourced from PubChem (CID 139446985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).