3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine

C18H19N3O — CID 117165132

IUPAC3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2C2CCC2)c1
InChIInChI=1S/C18H19N3O/c1-22-15-8-2-5-13(11-15)12-17-20-16-9-4-10-19-18(16)21(17)14-6-3-7-14/h2,4-5,8-11,14H,3,6-7,12H2,1H3
InChIKeyFLEHTCOZHCUTJH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds4

About 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine

3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165132) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165132
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2C2CCC2)c1
InChIInChI=1S/C18H19N3O/c1-22-15-8-2-5-13(11-15)12-17-20-16-9-4-10-19-18(16)21(17)14-6-3-7-14/h2,4-5,8-11,14H,3,6-7,12H2,1H3
InChIKeyFLEHTCOZHCUTJH-UHFFFAOYSA-N
XLogP3.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
[4-[2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42276581
3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165060
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 50847066
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (CID 117165132) is 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is COc1cccc(Cc2nc3cccnc3n2C2CCC2)c1.
What is the InChIKey of 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is FLEHTCOZHCUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-15-8-2-5-13(11-15)12-17-20-16-9-4-10-19-18(16)21(17)14-6-3-7-14/h2,4-5,8-11,14H,3,6-7,12H2,1H3.
What are the key properties of 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).