3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine

C19H16N4O — CID 117164845

IUPAC3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cn2c(-c3ccccn3)nc3cccnc32)cc1
InChIInChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)13-23-18-17(6-4-12-21-18)22-19(23)16-5-2-3-11-20-16/h2-12H,13H2,1H3
InChIKeyLYDHMRBZCXEZMZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.55
Rot. Bonds4

About 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine

3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164845) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
PubChem CID117164845
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cn2c(-c3ccccn3)nc3cccnc32)cc1
InChIInChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)13-23-18-17(6-4-12-21-18)22-19(23)16-5-2-3-11-20-16/h2-12H,13H2,1H3
InChIKeyLYDHMRBZCXEZMZ-UHFFFAOYSA-N
XLogP3.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
3-(2-methoxyethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164775
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165487
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
3-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879749
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 122485172
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
CID 134170281
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-methoxyaniline
CID 115411353
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine (CID 117164845) is 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine is COc1ccc(Cn2c(-c3ccccn3)nc3cccnc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is LYDHMRBZCXEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)13-23-18-17(6-4-12-21-18)22-19(23)16-5-2-3-11-20-16/h2-12H,13H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 316.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).