[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C20H17F3N4O3 — CID 71797897

IUPAC[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-6-4-14(5-7-15)18(28)25-9-11-26(12-10-25)19(29)16-13-24-27-8-2-1-3-17(16)27/h1-8,13H,9-12H2
InChIKeyTURIUBFFKOYSFN-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.83
Rot. Bonds3

About [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 71797897) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID71797897
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-6-4-14(5-7-15)18(28)25-9-11-26(12-10-25)19(29)16-13-24-27-8-2-1-3-17(16)27/h1-8,13H,9-12H2
InChIKeyTURIUBFFKOYSFN-UHFFFAOYSA-N
XLogP2.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone 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 [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 71797897) is [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2cnn3ccccc23)CC1.
What is the InChIKey of [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is TURIUBFFKOYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-6-4-14(5-7-15)18(28)25-9-11-26(12-10-25)19(29)16-13-24-27-8-2-1-3-17(16)27/h1-8,13H,9-12H2.
What are the key properties of [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 418.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 71797897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).