4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one

C17H15F2N5O2 — CID 178156447

IUPAC4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
SMILESO=C1CC(c2cc(-c3ccc(OC(F)F)cc3)nc3ncnn23)CCN1
InChIInChI=1S/C17H15F2N5O2/c18-16(19)26-12-3-1-10(2-4-12)13-8-14(11-5-6-20-15(25)7-11)24-17(23-13)21-9-22-24/h1-4,8-9,11,16H,5-7H2,(H,20,25)
InChIKeyPXLKWKHYWWIVAS-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.39
Rot. Bonds4

About 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one

4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one (PubChem CID 178156447) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
PubChem CID178156447
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one
SMILESO=C1CC(c2cc(-c3ccc(OC(F)F)cc3)nc3ncnn23)CCN1
InChIInChI=1S/C17H15F2N5O2/c18-16(19)26-12-3-1-10(2-4-12)13-8-14(11-5-6-20-15(25)7-11)24-17(23-13)21-9-22-24/h1-4,8-9,11,16H,5-7H2,(H,20,25)
InChIKeyPXLKWKHYWWIVAS-UHFFFAOYSA-N
XLogP2.39
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one?
The IUPAC name of 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one (CID 178156447) is 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one.
What is the SMILES notation for 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one?
The canonical SMILES for 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one is O=C1CC(c2cc(-c3ccc(OC(F)F)cc3)nc3ncnn23)CCN1.
What is the InChIKey of 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one?
The InChIKey is PXLKWKHYWWIVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-16(19)26-12-3-1-10(2-4-12)13-8-14(11-5-6-20-15(25)7-11)24-17(23-13)21-9-22-24/h1-4,8-9,11,16H,5-7H2,(H,20,25).
What are the key properties of 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one?
4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one has a molecular weight of 359.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-one is sourced from PubChem (CID 178156447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).