[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone

C19H18F3N5O — CID 118471135

IUPAC[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(c3cc(C)nc4ncnn34)CC(F)(F)C2)c1
InChIInChI=1S/C19H18F3N5O/c1-11-3-4-15(20)14(5-11)17(28)26-8-13(7-19(21,22)9-26)16-6-12(2)25-18-23-10-24-27(16)18/h3-6,10,13H,7-9H2,1-2H3
InChIKeyQUVSZAGQXLGQLA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.15
Rot. Bonds2

About [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone

[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone (PubChem CID 118471135) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
PubChem CID118471135
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CC(c3cc(C)nc4ncnn34)CC(F)(F)C2)c1
InChIInChI=1S/C19H18F3N5O/c1-11-3-4-15(20)14(5-11)17(28)26-8-13(7-19(21,22)9-26)16-6-12(2)25-18-23-10-24-27(16)18/h3-6,10,13H,7-9H2,1-2H3
InChIKeyQUVSZAGQXLGQLA-UHFFFAOYSA-N
XLogP3.15
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone (CID 118471135) is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2CC(c3cc(C)nc4ncnn34)CC(F)(F)C2)c1.
What is the InChIKey of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is QUVSZAGQXLGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-11-3-4-15(20)14(5-11)17(28)26-8-13(7-19(21,22)9-26)16-6-12(2)25-18-23-10-24-27(16)18/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone?
[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 389.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 118471135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).