3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine

C25H21N3 — CID 25211397

IUPAC3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(CCn2cnc3c(-c4ccc5ccccc5c4)ccnc32)cc1
InChIInChI=1S/C25H21N3/c1-18-6-8-19(9-7-18)13-15-28-17-27-24-23(12-14-26-25(24)28)22-11-10-20-4-2-3-5-21(20)16-22/h2-12,14,16-17H,13,15H2,1H3
InChIKeyUEKIYPASXDCQDK-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.80
Rot. Bonds4

About 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine

3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine (PubChem CID 25211397) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine
PubChem CID25211397
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(CCn2cnc3c(-c4ccc5ccccc5c4)ccnc32)cc1
InChIInChI=1S/C25H21N3/c1-18-6-8-19(9-7-18)13-15-28-17-27-24-23(12-14-26-25(24)28)22-11-10-20-4-2-3-5-21(20)16-22/h2-12,14,16-17H,13,15H2,1H3
InChIKeyUEKIYPASXDCQDK-UHFFFAOYSA-N
XLogP5.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Tegobuvir
CID 23649154
Miransertib
CID 53262401
L-158809
CID 183134
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
FK-739 free acid
CID 9801627
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine (CID 25211397) is 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine is Cc1ccc(CCn2cnc3c(-c4ccc5ccccc5c4)ccnc32)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is UEKIYPASXDCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-18-6-8-19(9-7-18)13-15-28-17-27-24-23(12-14-26-25(24)28)22-11-10-20-4-2-3-5-21(20)16-22/h2-12,14,16-17H,13,15H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine?
3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 363.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethyl]-7-naphthalen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25211397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).