4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide

C20H20F3N5O2 — CID 53203562

IUPAC4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C20H20F3N5O2/c1-30-16-5-2-13(3-6-16)18(29)24-15-8-10-27(11-9-15)19-26-25-17-7-4-14(12-28(17)19)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H,24,29)
InChIKeyLZPKCQZRRQKDGC-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.16
Rot. Bonds4

About 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide (PubChem CID 53203562) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide
PubChem CID53203562
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C20H20F3N5O2/c1-30-16-5-2-13(3-6-16)18(29)24-15-8-10-27(11-9-15)19-26-25-17-7-4-14(12-28(17)19)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H,24,29)
InChIKeyLZPKCQZRRQKDGC-UHFFFAOYSA-N
XLogP3.16
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide 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-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide (CID 53203562) is 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide?
The InChIKey is LZPKCQZRRQKDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-30-16-5-2-13(3-6-16)18(29)24-15-8-10-27(11-9-15)19-26-25-17-7-4-14(12-28(17)19)20(21,22)23/h2-7,12,15H,8-11H2,1H3,(H,24,29).
What are the key properties of 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide has a molecular weight of 419.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 53203562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).