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

C19H23N3O — CID 117165060

IUPAC3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2CC(C)(C)C)c1
InChIInChI=1S/C19H23N3O/c1-19(2,3)13-22-17(21-16-9-6-10-20-18(16)22)12-14-7-5-8-15(11-14)23-4/h5-11H,12-13H2,1-4H3
InChIKeyDMIKOJAJHSLRSO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds4

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

3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165060) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165060
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(Cc2nc3cccnc3n2CC(C)(C)C)c1
InChIInChI=1S/C19H23N3O/c1-19(2,3)13-22-17(21-16-9-6-10-20-18(16)22)12-14-7-5-8-15(11-14)23-4/h5-11H,12-13H2,1-4H3
InChIKeyDMIKOJAJHSLRSO-UHFFFAOYSA-N
XLogP4.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165077
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165487
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
N-[(3-methoxyphenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 46256846
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 53022337
3-methoxy-N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]benzamide
CID 53020588
2-(3-methoxyphenyl)-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 53143714
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
N-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 53022402
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine (CID 117165060) is 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is COc1cccc(Cc2nc3cccnc3n2CC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is DMIKOJAJHSLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-19(2,3)13-22-17(21-16-9-6-10-20-18(16)22)12-14-7-5-8-15(11-14)23-4/h5-11H,12-13H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine?
3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 309.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).