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

C19H16N4 — CID 117165458

IUPAC2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2-c2cccnc2)cc1
InChIInChI=1S/C19H16N4/c1-14-6-8-15(9-7-14)12-18-22-17-5-3-11-21-19(17)23(18)16-4-2-10-20-13-16/h2-11,13H,12H2,1H3
InChIKeyYXGUUBGOEDQDJG-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.71
Rot. Bonds3

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

2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117165458) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
PubChem CID117165458
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2-c2cccnc2)cc1
InChIInChI=1S/C19H16N4/c1-14-6-8-15(9-7-14)12-18-22-17-5-3-11-21-19(17)23(18)16-4-2-10-20-13-16/h2-11,13H,12H2,1H3
InChIKeyYXGUUBGOEDQDJG-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-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
2-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
2-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159986

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine (CID 117165458) is 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine is Cc1ccc(Cc2nc3cccnc3n2-c2cccnc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is YXGUUBGOEDQDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-14-6-8-15(9-7-14)12-18-22-17-5-3-11-21-19(17)23(18)16-4-2-10-20-13-16/h2-11,13H,12H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine?
2-[(4-methylphenyl)methyl]-3-pyridin-3-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-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).