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

C19H16N4 — CID 117165359

IUPAC2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1Cc1nc2cccnc2n1-c1ccncc1
InChIInChI=1S/C19H16N4/c1-14-5-2-3-6-15(14)13-18-22-17-7-4-10-21-19(17)23(18)16-8-11-20-12-9-16/h2-12H,13H2,1H3
InChIKeyLBHNGVRQPCKHOF-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.71
Rot. Bonds3

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

2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117165359) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID117165359
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccccc1Cc1nc2cccnc2n1-c1ccncc1
InChIInChI=1S/C19H16N4/c1-14-5-2-3-6-15(14)13-18-22-17-7-4-10-21-19(17)23(18)16-8-11-20-12-9-16/h2-12H,13H2,1H3
InChIKeyLBHNGVRQPCKHOF-UHFFFAOYSA-N
XLogP3.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
2-(2-methylpropyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117166087
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165030
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481512
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 117165359) is 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is Cc1ccccc1Cc1nc2cccnc2n1-c1ccncc1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is LBHNGVRQPCKHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-14-5-2-3-6-15(14)13-18-22-17-7-4-10-21-19(17)23(18)16-8-11-20-12-9-16/h2-12H,13H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 300.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).