1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine

C15H23ClN4 — CID 79300872

IUPAC1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CC(C)(C)N(C)C
InChIInChI=1S/C15H23ClN4/c1-10-7-12-14(17-8-10)20(13(18-12)11(2)16)9-15(3,4)19(5)6/h7-8,11H,9H2,1-6H3
InChIKeySCURWJNVEZMFAT-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.38
Rot. Bonds4

About 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine

1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 79300872) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID79300872
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CC(C)(C)N(C)C
InChIInChI=1S/C15H23ClN4/c1-10-7-12-14(17-8-10)20(13(18-12)11(2)16)9-15(3,4)19(5)6/h7-8,11H,9H2,1-6H3
InChIKeySCURWJNVEZMFAT-UHFFFAOYSA-N
XLogP3.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 79306880
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346141
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037177
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine (CID 79300872) is 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine is Cc1cnc2c(c1)nc(C(C)Cl)n2CC(C)(C)N(C)C.
What is the InChIKey of 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is SCURWJNVEZMFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-10-7-12-14(17-8-10)20(13(18-12)11(2)16)9-15(3,4)19(5)6/h7-8,11H,9H2,1-6H3.
What are the key properties of 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine?
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 294.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79300872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).