4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one

C13H15ClN4O — CID 106187766

IUPAC4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C1CNC(=O)C1
InChIInChI=1S/C13H15ClN4O/c1-7-3-10-13(16-5-7)18(12(17-10)8(2)14)9-4-11(19)15-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,15,19)
InChIKeyIBWSDXRTWMJSTI-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.10
Rot. Bonds2

About 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one

4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one (PubChem CID 106187766) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one
PubChem CID106187766
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C1CNC(=O)C1
InChIInChI=1S/C13H15ClN4O/c1-7-3-10-13(16-5-7)18(12(17-10)8(2)14)9-4-11(19)15-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,15,19)
InChIKeyIBWSDXRTWMJSTI-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
CID 106186692
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
4-[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]pyrrolidin-2-one
CID 106187893
2-(1-chloroethyl)-6-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79305923
4-[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]pyrrolidin-2-one
CID 106187966
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79279739
6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816
6-bromo-2-(1-chloroethyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 80713098
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 79302589
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpyrrolidin-2-one
CID 106259196
6-bromo-2-(1-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548514

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one (CID 106187766) is 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one is Cc1cnc2c(c1)nc(C(C)Cl)n2C1CNC(=O)C1.
What is the InChIKey of 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one?
The InChIKey is IBWSDXRTWMJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-3-10-13(16-5-7)18(12(17-10)8(2)14)9-4-11(19)15-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one?
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one has a molecular weight of 278.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 106187766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).