5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole

C13H14ClN5O — CID 106407149

IUPAC5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccnc2c1nc(C(C)Cl)n2CCc1ncno1
InChIInChI=1S/C13H14ClN5O/c1-8-3-5-15-13-11(8)18-12(9(2)14)19(13)6-4-10-16-7-17-20-10/h3,5,7,9H,4,6H2,1-2H3
InChIKeyIJXOBWLDPUKMNO-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.67
Rot. Bonds4

About 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole

5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 106407149) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
PubChem CID106407149
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccnc2c1nc(C(C)Cl)n2CCc1ncno1
InChIInChI=1S/C13H14ClN5O/c1-8-3-5-15-13-11(8)18-12(9(2)14)19(13)6-4-10-16-7-17-20-10/h3,5,7,9H,4,6H2,1-2H3
InChIKeyIJXOBWLDPUKMNO-UHFFFAOYSA-N
XLogP2.67
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420358
5-[2-[8-(1-chloroethyl)-6-methoxypurin-9-yl]ethyl]-1,2,4-oxadiazole
CID 106407091
3-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407354
2-(1-chloroethyl)-7-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 79275874
2-(1-chloroethyl)-3-(2-methoxyethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293719
4-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]morpholine
CID 79276323
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
N-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004828
2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 79293274
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 104763448
2-(1-chloroethyl)-7-methyl-3-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277491
2-(1-chloroethyl)-3-(cyclohexylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294089

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole (CID 106407149) is 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole is Cc1ccnc2c1nc(C(C)Cl)n2CCc1ncno1.
What is the InChIKey of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is IJXOBWLDPUKMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8-3-5-15-13-11(8)18-12(9(2)14)19(13)6-4-10-16-7-17-20-10/h3,5,7,9H,4,6H2,1-2H3.
What are the key properties of 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 291.74 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).