4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol

C19H16N4O2 — CID 178120438

IUPAC4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
SMILESCc1cc(-c2nc3cccnc3n2-c2ccc(N)cc2)c(O)cc1O
InChIInChI=1S/C19H16N4O2/c1-11-9-14(17(25)10-16(11)24)18-22-15-3-2-8-21-19(15)23(18)13-6-4-12(20)5-7-13/h2-10,24-25H,20H2,1H3
InChIKeyQTEXLUQVGLWJOR-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.39
Rot. Bonds2

About 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol

4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol (PubChem CID 178120438) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
PubChem CID178120438
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol
SMILESCc1cc(-c2nc3cccnc3n2-c2ccc(N)cc2)c(O)cc1O
InChIInChI=1S/C19H16N4O2/c1-11-9-14(17(25)10-16(11)24)18-22-15-3-2-8-21-19(15)23(18)13-6-4-12(20)5-7-13/h2-10,24-25H,20H2,1H3
InChIKeyQTEXLUQVGLWJOR-UHFFFAOYSA-N
XLogP3.39
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120449
4-ethyl-6-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]benzene-1,3-diol
CID 178120474
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
tert-butyl N-[3-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120469
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 58345101
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]pyridin-2-yl]benzene-1,4-diol
CID 178174126
3-[3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345030
2-(2-amino-3-pyridinyl)-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-6-amine
CID 58344981
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol (CID 178120438) is 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol is Cc1cc(-c2nc3cccnc3n2-c2ccc(N)cc2)c(O)cc1O.
What is the InChIKey of 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol?
The InChIKey is QTEXLUQVGLWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-9-14(17(25)10-16(11)24)18-22-15-3-2-8-21-19(15)23(18)13-6-4-12(20)5-7-13/h2-10,24-25H,20H2,1H3.
What are the key properties of 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol?
4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol has a molecular weight of 332.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)imidazo[4,5-b]pyridin-2-yl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 178120438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).