2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

C24H18N4O — CID 140865477

IUPAC2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cccc(-c4ccccn4)c3)ccnc21
InChIInChI=1S/C24H18N4O/c1-28-23(19-9-2-3-11-21(19)29)27-22-18(12-14-26-24(22)28)16-7-6-8-17(15-16)20-10-4-5-13-25-20/h2-15,29H,1H3
InChIKeySIGVYFDMQDIQOZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.07
Rot. Bonds3

About 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140865477) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
PubChem CID140865477
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
SMILESCn1c(-c2ccccc2O)nc2c(-c3cccc(-c4ccccn4)c3)ccnc21
InChIInChI=1S/C24H18N4O/c1-28-23(19-9-2-3-11-21(19)29)27-22-18(12-14-26-24(22)28)16-7-6-8-17(15-16)20-10-4-5-13-25-20/h2-15,29H,1H3
InChIKeySIGVYFDMQDIQOZ-UHFFFAOYSA-N
XLogP5.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?
The IUPAC name of 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 140865477) is 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?
The canonical SMILES for 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is Cn1c(-c2ccccc2O)nc2c(-c3cccc(-c4ccccn4)c3)ccnc21.
What is the InChIKey of 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?
The InChIKey is SIGVYFDMQDIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-28-23(19-9-2-3-11-21(19)29)27-22-18(12-14-26-24(22)28)16-7-6-8-17(15-16)20-10-4-5-13-25-20/h2-15,29H,1H3.
What are the key properties of 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 378.44 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140865477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).