2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine

C14H21ClN4O2 — CID 115322997

IUPAC2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
SMILESCOCCN(C)CCn1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H21ClN4O2/c1-18(8-9-20-2)6-7-19-12(10-15)16-11-4-5-13(21-3)17-14(11)19/h4-5H,6-10H2,1-3H3
InChIKeyKLGWWLKQRXDPPV-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.76
Rot. Bonds8

About 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine

2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine (PubChem CID 115322997) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
PubChem CID115322997
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
SMILESCOCCN(C)CCn1c(CCl)nc2ccc(OC)nc21
InChIInChI=1S/C14H21ClN4O2/c1-18(8-9-20-2)6-7-19-12(10-15)16-11-4-5-13(21-3)17-14(11)19/h4-5H,6-10H2,1-3H3
InChIKeyKLGWWLKQRXDPPV-UHFFFAOYSA-N
XLogP1.76
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.76
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

2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161
2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
ethyl 4-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]butanoate
CID 115323105
2-(chloromethyl)-5-methoxy-3-(2-thiophen-3-ylethyl)imidazo[4,5-b]pyridine
CID 115322838
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 62845041
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
CID 115322521
2-[2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 115323009
3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 66080868
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine?
The IUPAC name of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine (CID 115322997) is 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine?
The canonical SMILES for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine is COCCN(C)CCn1c(CCl)nc2ccc(OC)nc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine?
The InChIKey is KLGWWLKQRXDPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-18(8-9-20-2)6-7-19-12(10-15)16-11-4-5-13(21-3)17-14(11)19/h4-5H,6-10H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine?
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine has a molecular weight of 312.80 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine is sourced from PubChem (CID 115322997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).