(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone

C18H15BrClFN4O — CID 118483329

IUPAC(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C18H15BrClFN4O/c19-12-1-4-16-22-23-17(25(16)10-12)18(26)24-7-5-11(6-8-24)14-9-13(21)2-3-15(14)20/h1-4,9-11H,5-8H2
InChIKeySWWYJOVWCXKGQZ-UHFFFAOYSA-N
MW437.70 g/mol
LogP4.30
Rot. Bonds2

About (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118483329) has the molecular formula C18H15BrClFN4O and a molecular weight of 437.70 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118483329
Molecular FormulaC18H15BrClFN4O
Molecular Weight437.70 g/mol
Exact Mass436.01
IUPAC Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C18H15BrClFN4O/c19-12-1-4-16-22-23-17(25(16)10-12)18(26)24-7-5-11(6-8-24)14-9-13(21)2-3-15(14)20/h1-4,9-11H,5-8H2
InChIKeySWWYJOVWCXKGQZ-UHFFFAOYSA-N
XLogP4.30
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.70
LogP ≤ 54.30
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-chloro-5-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone (CID 118483329) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone is O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cc(F)ccc2Cl)CC1.
What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is SWWYJOVWCXKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN4O/c19-12-1-4-16-22-23-17(25(16)10-12)18(26)24-7-5-11(6-8-24)14-9-13(21)2-3-15(14)20/h1-4,9-11H,5-8H2.
What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone?
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 437.70 g/mol, XLogP of 4.30, 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-chloro-5-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).