1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

C16H15ClFN3O2 — CID 134434731

IUPAC1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C16H15ClFN3O2/c1-16(2,22)9-23-11-5-12(10-3-4-14(18)19-6-10)15-13(17)7-20-21(15)8-11/h3-8,22H,9H2,1-2H3
InChIKeyGYKMPQGEUGWYAW-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.34
Rot. Bonds4

About 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol

1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (PubChem CID 134434731) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
PubChem CID134434731
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C16H15ClFN3O2/c1-16(2,22)9-23-11-5-12(10-3-4-14(18)19-6-10)15-13(17)7-20-21(15)8-11/h3-8,22H,9H2,1-2H3
InChIKeyGYKMPQGEUGWYAW-UHFFFAOYSA-N
XLogP3.34
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-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 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol (CID 134434731) is 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is CC(C)(O)COc1cc(-c2ccc(F)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
The InChIKey is GYKMPQGEUGWYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-16(2,22)9-23-11-5-12(10-3-4-14(18)19-6-10)15-13(17)7-20-21(15)8-11/h3-8,22H,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol?
1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol has a molecular weight of 335.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 134434731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).