3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole

C13H13Cl2N5O — CID 106420154

IUPAC3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCn2c(C(C)Cl)nc3cc(Cl)cnc32)no1
InChIInChI=1S/C13H13Cl2N5O/c1-7(14)12-18-10-5-9(15)6-16-13(10)20(12)4-3-11-17-8(2)21-19-11/h5-7H,3-4H2,1-2H3
InChIKeyTWFYNNKURDBAOY-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole

3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106420154) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106420154
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCn2c(C(C)Cl)nc3cc(Cl)cnc32)no1
InChIInChI=1S/C13H13Cl2N5O/c1-7(14)12-18-10-5-9(15)6-16-13(10)20(12)4-3-11-17-8(2)21-19-11/h5-7H,3-4H2,1-2H3
InChIKeyTWFYNNKURDBAOY-UHFFFAOYSA-N
XLogP3.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.32
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

6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106419422
6-chloro-2-(1-chloroethyl)-3-(3-ethylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 114248555
6-chloro-2-(1-chloroethyl)-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005185
3-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420206
3-[2-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420145
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
CID 106004677
2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114812
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
CID 113475680
2-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethoxy]acetamide
CID 106240505
4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037177
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole (CID 106420154) is 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CCn2c(C(C)Cl)nc3cc(Cl)cnc32)no1.
What is the InChIKey of 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is TWFYNNKURDBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c1-7(14)12-18-10-5-9(15)6-16-13(10)20(12)4-3-11-17-8(2)21-19-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 326.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106420154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).