2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine

C15H20ClN3 — CID 114101235

IUPAC2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
SMILESCCCC1(Cn2c(CCl)nc3c(C)ccnc32)CC1
InChIInChI=1S/C15H20ClN3/c1-3-5-15(6-7-15)10-19-12(9-16)18-13-11(2)4-8-17-14(13)19/h4,8H,3,5-7,9-10H2,1-2H3
InChIKeyHFDAILSHCNSQKF-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.06
Rot. Bonds5

About 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 114101235) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
PubChem CID114101235
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine
SMILESCCCC1(Cn2c(CCl)nc3c(C)ccnc32)CC1
InChIInChI=1S/C15H20ClN3/c1-3-5-15(6-7-15)10-19-12(9-16)18-13-11(2)4-8-17-14(13)19/h4,8H,3,5-7,9-10H2,1-2H3
InChIKeyHFDAILSHCNSQKF-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.06
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-(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-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 79293205
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-(chloromethyl)-3-(2-cyclopropylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 113475694
2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79293376
2-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(chloromethyl)-7-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[4,5-b]pyridine
CID 114516342
ethyl 3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79293015
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine (CID 114101235) is 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine is CCCC1(Cn2c(CCl)nc3c(C)ccnc32)CC1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is HFDAILSHCNSQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-5-15(6-7-15)10-19-12(9-16)18-13-11(2)4-8-17-14(13)19/h4,8H,3,5-7,9-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 114101235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).