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

C19H18ClFN4O — CID 118489190

IUPAC[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)n2c1
InChIInChI=1S/C19H18ClFN4O/c1-12-2-5-17-22-23-18(25(17)11-12)19(26)24-8-6-13(7-9-24)15-10-14(21)3-4-16(15)20/h2-5,10-11,13H,6-9H2,1H3
InChIKeyCYRBOGDKEQRUGL-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.85
Rot. Bonds2

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

[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 118489190) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
PubChem CID118489190
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCc1ccc2nnc(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)n2c1
InChIInChI=1S/C19H18ClFN4O/c1-12-2-5-17-22-23-18(25(17)11-12)19(26)24-8-6-13(7-9-24)15-10-14(21)3-4-16(15)20/h2-5,10-11,13H,6-9H2,1H3
InChIKeyCYRBOGDKEQRUGL-UHFFFAOYSA-N
XLogP3.85
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 118489190) is [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is Cc1ccc2nnc(C(=O)N3CCC(c4cc(F)ccc4Cl)CC3)n2c1.
What is the InChIKey of [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is CYRBOGDKEQRUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-12-2-5-17-22-23-18(25(17)11-12)19(26)24-8-6-13(7-9-24)15-10-14(21)3-4-16(15)20/h2-5,10-11,13H,6-9H2,1H3.
What are the key properties of [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 372.83 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 118489190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).