1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide

C18H20F3N7O — CID 83273766

IUPAC1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)n1
InChIInChI=1S/C18H20F3N7O/c1-2-27-10-7-14(25-27)16(29)22-13-5-8-26(9-6-13)17-24-23-15-4-3-12(11-28(15)17)18(19,20)21/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,22,29)
InChIKeyUWBSYMRUHRXZGS-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.36
Rot. Bonds4

About 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 83273766) has the molecular formula C18H20F3N7O and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID83273766
Molecular FormulaC18H20F3N7O
Molecular Weight407.40 g/mol
Exact Mass407.17
IUPAC Name1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)n1
InChIInChI=1S/C18H20F3N7O/c1-2-27-10-7-14(25-27)16(29)22-13-5-8-26(9-6-13)17-24-23-15-4-3-12(11-28(15)17)18(19,20)21/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,22,29)
InChIKeyUWBSYMRUHRXZGS-UHFFFAOYSA-N
XLogP2.36
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide 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-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide (CID 83273766) is 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)n1.
What is the InChIKey of 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is UWBSYMRUHRXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O/c1-2-27-10-7-14(25-27)16(29)22-13-5-8-26(9-6-13)17-24-23-15-4-3-12(11-28(15)17)18(19,20)21/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,22,29).
What are the key properties of 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 83273766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).