3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol

C18H14N4O — CID 117165156

IUPAC3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1cccc(Cc2nc3cccnc3n2-c2ccncc2)c1
InChIInChI=1S/C18H14N4O/c23-15-4-1-3-13(11-15)12-17-21-16-5-2-8-20-18(16)22(17)14-6-9-19-10-7-14/h1-11,23H,12H2
InChIKeyLMXLZMPLDGAXFU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.11
Rot. Bonds3

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

3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (PubChem CID 117165156) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
PubChem CID117165156
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1cccc(Cc2nc3cccnc3n2-c2ccncc2)c1
InChIInChI=1S/C18H14N4O/c23-15-4-1-3-13(11-15)12-17-21-16-5-2-8-20-18(16)22(17)14-6-9-19-10-7-14/h1-11,23H,12H2
InChIKeyLMXLZMPLDGAXFU-UHFFFAOYSA-N
XLogP3.11
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(2-methylpropyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117166087
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22723985
2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117165008
2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
2-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164999
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The IUPAC name of 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (CID 117165156) is 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is Oc1cccc(Cc2nc3cccnc3n2-c2ccncc2)c1.
What is the InChIKey of 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The InChIKey is LMXLZMPLDGAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-15-4-1-3-13(11-15)12-17-21-16-5-2-8-20-18(16)22(17)14-6-9-19-10-7-14/h1-11,23H,12H2.
What are the key properties of 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 117165156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).