2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C17H20F3N5O2 — CID 42949473

IUPAC2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)NCC(F)(F)F
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)12-21-15(26)11-24-7-5-23(6-8-24)10-13-9-16(27)25-4-2-1-3-14(25)22-13/h1-4,9H,5-8,10-12H2,(H,21,26)
InChIKeyRJKCMFTVATYAAV-UHFFFAOYSA-N
MW383.37 g/mol
LogP0.49
Rot. Bonds5

About 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 42949473) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID42949473
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)NCC(F)(F)F
InChIInChI=1S/C17H20F3N5O2/c18-17(19,20)12-21-15(26)11-24-7-5-23(6-8-24)10-13-9-16(27)25-4-2-1-3-14(25)22-13/h1-4,9H,5-8,10-12H2,(H,21,26)
InChIKeyRJKCMFTVATYAAV-UHFFFAOYSA-N
XLogP0.49
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 42949473) is 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RJKCMFTVATYAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c18-17(19,20)12-21-15(26)11-24-7-5-23(6-8-24)10-13-9-16(27)25-4-2-1-3-14(25)22-13/h1-4,9H,5-8,10-12H2,(H,21,26).
What are the key properties of 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 383.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 42949473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).