pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone

C17H20F3N5O — CID 95115197

IUPACpyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1)N1CCCC1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-5-6-14-21-22-16(25(14)11-13)24-9-3-4-12(10-24)15(26)23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2/t12-/m1/s1
InChIKeyOJPILWLGOMDBRE-GFCCVEGCSA-N
MW367.38 g/mol
LogP2.59
Rot. Bonds2

About pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone

pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone (PubChem CID 95115197) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone
PubChem CID95115197
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Namepyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1)N1CCCC1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-5-6-14-21-22-16(25(14)11-13)24-9-3-4-12(10-24)15(26)23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2/t12-/m1/s1
InChIKeyOJPILWLGOMDBRE-GFCCVEGCSA-N
XLogP2.59
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone (CID 95115197) is pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone?
The InChIKey is OJPILWLGOMDBRE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F3N5O/c18-17(19,20)13-5-6-14-21-22-16(25(14)11-13)24-9-3-4-12(10-24)15(26)23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2/t12-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone?
pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone has a molecular weight of 367.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 95115197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).