3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol

C21H18BrFN4O — CID 10160497

IUPAC3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)c(Br)cn1
InChIInChI=1S/C21H18BrFN4O/c22-17-13-25-19(24-9-3-11-28)12-16(17)20-18-4-1-2-10-27(18)26-21(20)14-5-7-15(23)8-6-14/h1-2,4-8,10,12-13,28H,3,9,11H2,(H,24,25)
InChIKeyICZYMWBITMDBRF-UHFFFAOYSA-N
MW441.30 g/mol
LogP4.76
Rot. Bonds6

About 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol

3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 10160497) has the molecular formula C21H18BrFN4O and a molecular weight of 441.30 g/mol. Its IUPAC name is 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID10160497
Molecular FormulaC21H18BrFN4O
Molecular Weight441.30 g/mol
Exact Mass440.06
IUPAC Name3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)c(Br)cn1
InChIInChI=1S/C21H18BrFN4O/c22-17-13-25-19(24-9-3-11-28)12-16(17)20-18-4-1-2-10-27(18)26-21(20)14-5-7-15(23)8-6-14/h1-2,4-8,10,12-13,28H,3,9,11H2,(H,24,25)
InChIKeyICZYMWBITMDBRF-UHFFFAOYSA-N
XLogP4.76
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol (CID 10160497) is 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol is OCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3ccccc23)c(Br)cn1.
What is the InChIKey of 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is ICZYMWBITMDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN4O/c22-17-13-25-19(24-9-3-11-28)12-16(17)20-18-4-1-2-10-27(18)26-21(20)14-5-7-15(23)8-6-14/h1-2,4-8,10,12-13,28H,3,9,11H2,(H,24,25).
What are the key properties of 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol?
3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 441.30 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 10160497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).