[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate

C17H12F5N3O2 — CID 67334126

IUPAC[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate
SMILESCC(N)(OC(=O)C(F)(F)F)c1nn2ccccc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F5N3O2/c1-16(23,27-15(26)17(20,21)22)14-13(9-6-10(18)8-11(19)7-9)12-4-2-3-5-25(12)24-14/h2-8H,23H2,1H3
InChIKeyQDOFURQBDNIRHV-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.52
Rot. Bonds3

About [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate

[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate (PubChem CID 67334126) has the molecular formula C17H12F5N3O2 and a molecular weight of 385.29 g/mol. Its IUPAC name is [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate
PubChem CID67334126
Molecular FormulaC17H12F5N3O2
Molecular Weight385.29 g/mol
Exact Mass385.08
IUPAC Name[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate
SMILESCC(N)(OC(=O)C(F)(F)F)c1nn2ccccc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H12F5N3O2/c1-16(23,27-15(26)17(20,21)22)14-13(9-6-10(18)8-11(19)7-9)12-4-2-3-5-25(12)24-14/h2-8H,23H2,1H3
InChIKeyQDOFURQBDNIRHV-UHFFFAOYSA-N
XLogP3.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate 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-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate (CID 67334126) is [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate is CC(N)(OC(=O)C(F)(F)F)c1nn2ccccc2c1-c1cc(F)cc(F)c1.
What is the InChIKey of [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate?
The InChIKey is QDOFURQBDNIRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O2/c1-16(23,27-15(26)17(20,21)22)14-13(9-6-10(18)8-11(19)7-9)12-4-2-3-5-25(12)24-14/h2-8H,23H2,1H3.
What are the key properties of [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate?
[1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate has a molecular weight of 385.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-1-[3-(3,5-difluorophenyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67334126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).