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

C18H15BrClFN4O — CID 118483445

IUPAC(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1
InChIInChI=1S/C18H15BrClFN4O/c19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20/h1-5,10-11H,6-9H2
InChIKeyOAWKDWXXAALPBC-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-3-fluorophenyl)piperidin-1-yl]methanone

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118483445) 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-3-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118483445
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-3-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1
InChIInChI=1S/C18H15BrClFN4O/c19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20/h1-5,10-11H,6-9H2
InChIKeyOAWKDWXXAALPBC-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

Analyze (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone 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 (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone (CID 118483445) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-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-3-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone is O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(F)c2Cl)CC1.
What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is OAWKDWXXAALPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN4O/c19-12-4-5-15-22-23-17(25(15)10-12)18(26)24-8-6-11(7-9-24)13-2-1-3-14(21)16(13)20/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-chloro-3-fluorophenyl)piperidin-1-yl]methanone?
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-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-3-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118483445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).