2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine

C15H21ClN4O — CID 115322890

IUPAC2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(CC3CCCN(C)C3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-19-7-3-4-11(9-19)10-20-13(8-16)17-12-5-6-14(21-2)18-15(12)20/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKQKKTJZXOMCUFH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.52
Rot. Bonds4

About 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 115322890) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID115322890
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(CC3CCCN(C)C3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-19-7-3-4-11(9-19)10-20-13(8-16)17-12-5-6-14(21-2)18-15(12)20/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyKQKKTJZXOMCUFH-UHFFFAOYSA-N
XLogP2.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596
2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
3-(cyclohexylmethyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322201
2-(chloromethyl)-5-methoxy-3-(2-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323195
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
CID 114109023
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
2-(2-chloroethyl)-5-methoxy-3-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 115322724
2-(chloromethyl)-3-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-5-carbonitrile
CID 104715486

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 115322890) is 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(CC3CCCN(C)C3)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is KQKKTJZXOMCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-19-7-3-4-11(9-19)10-20-13(8-16)17-12-5-6-14(21-2)18-15(12)20/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 308.81 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).