N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

C20H20F3N5O — CID 53203538

IUPACN-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc2nnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n12
InChIInChI=1S/C20H20F3N5O/c1-13-3-2-4-17-25-26-19(28(13)17)27-11-9-16(10-12-27)24-18(29)14-5-7-15(8-6-14)20(21,22)23/h2-8,16H,9-12H2,1H3,(H,24,29)
InChIKeyIJASRVWSKQMDNG-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 53203538) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID53203538
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc2nnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n12
InChIInChI=1S/C20H20F3N5O/c1-13-3-2-4-17-25-26-19(28(13)17)27-11-9-16(10-12-27)24-18(29)14-5-7-15(8-6-14)20(21,22)23/h2-8,16H,9-12H2,1H3,(H,24,29)
InChIKeyIJASRVWSKQMDNG-UHFFFAOYSA-N
XLogP3.46
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)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 N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 53203538) is N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is Cc1cccc2nnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n12.
What is the InChIKey of N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is IJASRVWSKQMDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-13-3-2-4-17-25-26-19(28(13)17)27-11-9-16(10-12-27)24-18(29)14-5-7-15(8-6-14)20(21,22)23/h2-8,16H,9-12H2,1H3,(H,24,29).
What are the key properties of N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 403.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 53203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).