4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol

C21H19N3O3 — CID 178120474

IUPAC4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
SMILESCCc1cc(-c2nc3cccnc3n2-c2ccc(OC)cc2)c(O)cc1O
InChIInChI=1S/C21H19N3O3/c1-3-13-11-16(19(26)12-18(13)25)20-23-17-5-4-10-22-21(17)24(20)14-6-8-15(27-2)9-7-14/h4-12,25-26H,3H2,1-2H3
InChIKeyPREKDPDLADBMHU-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.07
Rot. Bonds4

About 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol

4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol (PubChem CID 178120474) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
PubChem CID178120474
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
SMILESCCc1cc(-c2nc3cccnc3n2-c2ccc(OC)cc2)c(O)cc1O
InChIInChI=1S/C21H19N3O3/c1-3-13-11-16(19(26)12-18(13)25)20-23-17-5-4-10-22-21(17)24(20)14-6-8-15(27-2)9-7-14/h4-12,25-26H,3H2,1-2H3
InChIKeyPREKDPDLADBMHU-UHFFFAOYSA-N
XLogP4.07
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
CID 178120438
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]-5-methoxyphenol
CID 178174154
tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120449
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
tert-butyl N-[3-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120469
4-(4-methoxyphenyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 134800374
1-(4-methoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 15652997
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol (CID 178120474) is 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol is CCc1cc(-c2nc3cccnc3n2-c2ccc(OC)cc2)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is PREKDPDLADBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-13-11-16(19(26)12-18(13)25)20-23-17-5-4-10-22-21(17)24(20)14-6-8-15(27-2)9-7-14/h4-12,25-26H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol?
4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 361.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 178120474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).