3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine

C28H24N6O — CID 20955885

IUPAC3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(COCc3nc4cccnc4n3-c3ccc(C)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H24N6O/c1-19-7-11-21(12-8-19)33-25(31-23-5-3-15-29-27(23)33)17-35-18-26-32-24-6-4-16-30-28(24)34(26)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3
InChIKeyQPIBIJRATYJANI-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.49
Rot. Bonds6

About 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine

3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine (PubChem CID 20955885) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
PubChem CID20955885
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(COCc3nc4cccnc4n3-c3ccc(C)cc3)nc3cccnc32)cc1
InChIInChI=1S/C28H24N6O/c1-19-7-11-21(12-8-19)33-25(31-23-5-3-15-29-27(23)33)17-35-18-26-32-24-6-4-16-30-28(24)34(26)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3
InChIKeyQPIBIJRATYJANI-UHFFFAOYSA-N
XLogP5.49
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161696
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50830738
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
[3-(4-ethoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82487584
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(5-methylfuran-2-yl)-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117164583

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine (CID 20955885) is 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine is Cc1ccc(-n2c(COCc3nc4cccnc4n3-c3ccc(C)cc3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
The InChIKey is QPIBIJRATYJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-7-11-21(12-8-19)33-25(31-23-5-3-15-29-27(23)33)17-35-18-26-32-24-6-4-16-30-28(24)34(26)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine has a molecular weight of 460.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20955885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).