4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol

C23H22FN5O — CID 155041822

IUPAC4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol
SMILESNc1ccc(-c2nc3c(N4CCCCC4)ccnc3n2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C23H22FN5O/c24-18-14-15(4-9-19(18)25)22-27-21-20(28-12-2-1-3-13-28)10-11-26-23(21)29(22)16-5-7-17(30)8-6-16/h4-11,14,30H,1-3,12-13,25H2
InChIKeyAGIWJTJLDVNVMY-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.50
Rot. Bonds3

About 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol

4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol (PubChem CID 155041822) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol
PubChem CID155041822
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol
SMILESNc1ccc(-c2nc3c(N4CCCCC4)ccnc3n2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C23H22FN5O/c24-18-14-15(4-9-19(18)25)22-27-21-20(28-12-2-1-3-13-28)10-11-26-23(21)29(22)16-5-7-17(30)8-6-16/h4-11,14,30H,1-3,12-13,25H2
InChIKeyAGIWJTJLDVNVMY-UHFFFAOYSA-N
XLogP4.50
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol 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

Desmethylastemizole
CID 155805
RP107
CID 448912
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986466
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
2,4-Bisanilinopyrimidine, 34
CID 44224089
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol (CID 155041822) is 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol is Nc1ccc(-c2nc3c(N4CCCCC4)ccnc3n2-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is AGIWJTJLDVNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-18-14-15(4-9-19(18)25)22-27-21-20(28-12-2-1-3-13-28)10-11-26-23(21)29(22)16-5-7-17(30)8-6-16/h4-11,14,30H,1-3,12-13,25H2.
What are the key properties of 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol?
4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 403.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-3-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 155041822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).