3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one

C18H19FN6O — CID 138995462

IUPAC3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
SMILESCCc1cc(NC2CCCN(c3ccccc3F)C2=O)n2ncnc2n1
InChIInChI=1S/C18H19FN6O/c1-2-12-10-16(25-18(22-12)20-11-21-25)23-14-7-5-9-24(17(14)26)15-8-4-3-6-13(15)19/h3-4,6,8,10-11,14,23H,2,5,7,9H2,1H3
InChIKeyCLZIQGZUWPFLAD-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.43
Rot. Bonds4

About 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one

3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one (PubChem CID 138995462) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
PubChem CID138995462
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one
SMILESCCc1cc(NC2CCCN(c3ccccc3F)C2=O)n2ncnc2n1
InChIInChI=1S/C18H19FN6O/c1-2-12-10-16(25-18(22-12)20-11-21-25)23-14-7-5-9-24(17(14)26)15-8-4-3-6-13(15)19/h3-4,6,8,10-11,14,23H,2,5,7,9H2,1H3
InChIKeyCLZIQGZUWPFLAD-UHFFFAOYSA-N
XLogP2.43
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The IUPAC name of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one (CID 138995462) is 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The canonical SMILES for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one is CCc1cc(NC2CCCN(c3ccccc3F)C2=O)n2ncnc2n1.
What is the InChIKey of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
The InChIKey is CLZIQGZUWPFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-2-12-10-16(25-18(22-12)20-11-21-25)23-14-7-5-9-24(17(14)26)15-8-4-3-6-13(15)19/h3-4,6,8,10-11,14,23H,2,5,7,9H2,1H3.
What are the key properties of 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one?
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one has a molecular weight of 354.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 138995462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).