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

C19H15BrF4N4O — CID 118483408

IUPAC(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrF4N4O/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)16-13(19(22,23)24)2-1-3-14(16)21/h1-5,10-11H,6-9H2
InChIKeyGFUCNCWHJMQECB-UHFFFAOYSA-N
MW471.25 g/mol
LogP4.67
Rot. Bonds2

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

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 118483408) has the molecular formula C19H15BrF4N4O and a molecular weight of 471.25 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID118483408
Molecular FormulaC19H15BrF4N4O
Molecular Weight471.25 g/mol
Exact Mass470.04
IUPAC Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrF4N4O/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)16-13(19(22,23)24)2-1-3-14(16)21/h1-5,10-11H,6-9H2
InChIKeyGFUCNCWHJMQECB-UHFFFAOYSA-N
XLogP4.67
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 118483408) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1nnc2ccc(Br)cn12)N1CCC(c2c(F)cccc2C(F)(F)F)CC1.
What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is GFUCNCWHJMQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF4N4O/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)16-13(19(22,23)24)2-1-3-14(16)21/h1-5,10-11H,6-9H2.
What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 471.25 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118483408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).