1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium

C25H21N3P+ — CID 86059470

IUPAC1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2nc3ncccc3[nH]2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21N3P/c1-4-11-20(12-5-1)29(21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-24-27-23-17-10-18-26-25(23)28-24/h1-18H,19H2,(H,26,27,28)/q+1
InChIKeyUCIJCHRHYHSJLR-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.45
Rot. Bonds5

About 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium

1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium (PubChem CID 86059470) has the molecular formula C25H21N3P+ and a molecular weight of 394.44 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
PubChem CID86059470
Molecular FormulaC25H21N3P+
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
SMILESc1ccc([P+](Cc2nc3ncccc3[nH]2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21N3P/c1-4-11-20(12-5-1)29(21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-24-27-23-17-10-18-26-25(23)28-24/h1-18H,19H2,(H,26,27,28)/q+1
InChIKeyUCIJCHRHYHSJLR-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium 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

4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
N-ethyl-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-2-amine
CID 62827619
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286
2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
CID 139068907
4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
CID 14855677
1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
CID 64671633
CID 59368109
CID 59368109
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 170856227
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 14319913
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 103310076
2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
CID 174495647

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium (CID 86059470) is 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium is c1ccc([P+](Cc2nc3ncccc3[nH]2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium?
The InChIKey is UCIJCHRHYHSJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3P/c1-4-11-20(12-5-1)29(21-13-6-2-7-14-21,22-15-8-3-9-16-22)19-24-27-23-17-10-18-26-25(23)28-24/h1-18H,19H2,(H,26,27,28)/q+1.
What are the key properties of 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium?
1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium has a molecular weight of 394.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium is sourced from PubChem (CID 86059470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).