4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C16H18F3N5O2 — CID 120811567

IUPAC4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)12(23-7-4-20-5-8-23)10-22-14(25)11-9-21-13-3-1-2-6-24(13)15(11)26/h1-3,6,9,12,20H,4-5,7-8,10H2,(H,22,25)
InChIKeyONCSQIUQDKIUSF-UHFFFAOYSA-N
MW369.35 g/mol
LogP0.26
Rot. Bonds4

About 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120811567) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120811567
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18F3N5O2/c17-16(18,19)12(23-7-4-20-5-8-23)10-22-14(25)11-9-21-13-3-1-2-6-24(13)15(11)26/h1-3,6,9,12,20H,4-5,7-8,10H2,(H,22,25)
InChIKeyONCSQIUQDKIUSF-UHFFFAOYSA-N
XLogP0.26
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51100165
7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681804
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
7-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42949473
4-oxo-N-(2,2,2-trifluoroethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804485
7-methyl-4-oxo-N-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99792545
7-methyl-4-oxo-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99792546
7-methyl-4-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 102562576
N-(3-amino-2,2-difluoropropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120408342
N-(3-amino-2,2-difluoropropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120408343
N-(3-amino-2,2-difluoropropyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120411109

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 120811567) is 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ONCSQIUQDKIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c17-16(18,19)12(23-7-4-20-5-8-23)10-22-14(25)11-9-21-13-3-1-2-6-24(13)15(11)26/h1-3,6,9,12,20H,4-5,7-8,10H2,(H,22,25).
What are the key properties of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120811567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).