2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine

C15H15ClN4O — CID 81139479

IUPAC2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine
SMILESCOc1cc(Cn2c(CCl)nc3ccc(C)nc32)ccn1
InChIInChI=1S/C15H15ClN4O/c1-10-3-4-12-15(18-10)20(13(8-16)19-12)9-11-5-6-17-14(7-11)21-2/h3-7H,8-9H2,1-2H3
InChIKeyNCSQANDCELGSAV-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.93
Rot. Bonds4

About 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine (PubChem CID 81139479) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine
PubChem CID81139479
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine
SMILESCOc1cc(Cn2c(CCl)nc3ccc(C)nc32)ccn1
InChIInChI=1S/C15H15ClN4O/c1-10-3-4-12-15(18-10)20(13(8-16)19-12)9-11-5-6-17-14(7-11)21-2/h3-7H,8-9H2,1-2H3
InChIKeyNCSQANDCELGSAV-UHFFFAOYSA-N
XLogP2.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.93
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

6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 115471492
2-(chloromethyl)-4-fluoro-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 62989294
2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 81135755
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106406965
5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 115322862
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
CID 81135625

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine (CID 81139479) is 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine is COc1cc(Cn2c(CCl)nc3ccc(C)nc32)ccn1.
What is the InChIKey of 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine?
The InChIKey is NCSQANDCELGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-10-3-4-12-15(18-10)20(13(8-16)19-12)9-11-5-6-17-14(7-11)21-2/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine has a molecular weight of 302.77 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81139479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).