2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide

C10H11ClN4O2 — CID 115322521

IUPAC2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCOc1ccc2nc(CCl)n(CC(N)=O)c2n1
InChIInChI=1S/C10H11ClN4O2/c1-17-9-3-2-6-10(14-9)15(5-7(12)16)8(4-11)13-6/h2-3H,4-5H2,1H3,(H2,12,16)
InChIKeyPPFIPPGWYISXTN-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 115322521) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID115322521
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCOc1ccc2nc(CCl)n(CC(N)=O)c2n1
InChIInChI=1S/C10H11ClN4O2/c1-17-9-3-2-6-10(14-9)15(5-7(12)16)8(4-11)13-6/h2-3H,4-5H2,1H3,(H2,12,16)
InChIKeyPPFIPPGWYISXTN-UHFFFAOYSA-N
XLogP0.66
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 115322756
ethyl 4-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]butanoate
CID 115323105
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-(chloromethyl)-5-methoxy-3-[(2-methylthiolan-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115323188
2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
2-(chloromethyl)-5-methoxy-3-(2-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323195
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 115322997
5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 115322862

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide (CID 115322521) is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide is COc1ccc2nc(CCl)n(CC(N)=O)c2n1.
What is the InChIKey of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is PPFIPPGWYISXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-17-9-3-2-6-10(14-9)15(5-7(12)16)8(4-11)13-6/h2-3H,4-5H2,1H3,(H2,12,16).
What are the key properties of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide?
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 254.68 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 115322521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).