2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine

C15H15ClN4 — CID 79293455

IUPAC2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(Cn2c(CCl)nc3c(C)ccnc32)cn1
InChIInChI=1S/C15H15ClN4/c1-10-5-6-17-15-14(10)19-13(7-16)20(15)9-12-4-3-11(2)18-8-12/h3-6,8H,7,9H2,1-2H3
InChIKeyPUDINPFXUBEEIB-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.23
Rot. Bonds3

About 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79293455) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
PubChem CID79293455
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(Cn2c(CCl)nc3c(C)ccnc32)cn1
InChIInChI=1S/C15H15ClN4/c1-10-5-6-17-15-14(10)19-13(7-16)20(15)9-12-4-3-11(2)18-8-12/h3-6,8H,7,9H2,1-2H3
InChIKeyPUDINPFXUBEEIB-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.23
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

2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233
2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
CID 23156205
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine (CID 79293455) is 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine is Cc1ccc(Cn2c(CCl)nc3c(C)ccnc32)cn1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is PUDINPFXUBEEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-5-6-17-15-14(10)19-13(7-16)20(15)9-12-4-3-11(2)18-8-12/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 286.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).