2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine

C14H18ClN3O — CID 114119985

IUPAC2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCOC1CC(n2c(CCl)nc3cccnc32)C1(C)C
InChIInChI=1S/C14H18ClN3O/c1-14(2)10(7-11(14)19-3)18-12(8-15)17-9-5-4-6-16-13(9)18/h4-6,10-11H,7-8H2,1-3H3
InChIKeyABGOQAXFVQZUJA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.16
Rot. Bonds3

About 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine (PubChem CID 114119985) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
PubChem CID114119985
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
SMILESCOC1CC(n2c(CCl)nc3cccnc32)C1(C)C
InChIInChI=1S/C14H18ClN3O/c1-14(2)10(7-11(14)19-3)18-12(8-15)17-9-5-4-6-16-13(9)18/h4-6,10-11H,7-8H2,1-3H3
InChIKeyABGOQAXFVQZUJA-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.16
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-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79294310
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79295049
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1-oxide
CID 113480268
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-1-methylpiperidine-2,6-dione
CID 79294258
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
CID 79274371
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 97166664
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine (CID 114119985) is 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine is COC1CC(n2c(CCl)nc3cccnc32)C1(C)C.
What is the InChIKey of 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine?
The InChIKey is ABGOQAXFVQZUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-14(2)10(7-11(14)19-3)18-12(8-15)17-9-5-4-6-16-13(9)18/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114119985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).