2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine

C16H22ClN3 — CID 79362792

IUPAC2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1C(C)(C)C1(C)C
InChIInChI=1S/C16H22ClN3/c1-10-7-9-18-13-12(10)19-11(6-8-17)20(13)14-15(2,3)16(14,4)5/h7,9,14H,6,8H2,1-5H3
InChIKeyFNFPXURUNUAWRM-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine (PubChem CID 79362792) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
PubChem CID79362792
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1C(C)(C)C1(C)C
InChIInChI=1S/C16H22ClN3/c1-10-7-9-18-13-12(10)19-11(6-8-17)20(13)14-15(2,3)16(14,4)5/h7,9,14H,6,8H2,1-5H3
InChIKeyFNFPXURUNUAWRM-UHFFFAOYSA-N
XLogP4.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
CID 79293082
2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 79293789
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79294095
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 115991019
2-[[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375958
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine (CID 79362792) is 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
The InChIKey is FNFPXURUNUAWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-10-7-9-18-13-12(10)19-11(6-8-17)20(13)14-15(2,3)16(14,4)5/h7,9,14H,6,8H2,1-5H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79362792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).