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

C23H20F3N5O — CID 86918371

IUPAC(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C23H20F3N5O/c1-14-18(11-15-5-2-3-7-19(15)27-14)22(32)30-10-4-6-16(12-30)21-29-28-20-9-8-17(13-31(20)21)23(24,25)26/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3
InChIKeyFCFISQCOOGWSPC-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.62
Rot. Bonds2

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

(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 86918371) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID86918371
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1nc2ccccc2cc1C(=O)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C23H20F3N5O/c1-14-18(11-15-5-2-3-7-19(15)27-14)22(32)30-10-4-6-16(12-30)21-29-28-20-9-8-17(13-31(20)21)23(24,25)26/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3
InChIKeyFCFISQCOOGWSPC-UHFFFAOYSA-N
XLogP4.62
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone (CID 86918371) is (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is Cc1nc2ccccc2cc1C(=O)N1CCCC(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is FCFISQCOOGWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-14-18(11-15-5-2-3-7-19(15)27-14)22(32)30-10-4-6-16(12-30)21-29-28-20-9-8-17(13-31(20)21)23(24,25)26/h2-3,5,7-9,11,13,16H,4,6,10,12H2,1H3.
What are the key properties of (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone?
(2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 439.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-3-yl)-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86918371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).