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

C17H20F3N5O2 — CID 120813731

IUPAC7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C17H20F3N5O2/c1-11-2-3-14-22-8-12(16(27)25(14)10-11)15(26)23-9-13(17(18,19)20)24-6-4-21-5-7-24/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,23,26)
InChIKeyIJTFNQUZHUONAB-UHFFFAOYSA-N
MW383.37 g/mol
LogP0.57
Rot. Bonds4

About 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120813731) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120813731
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C17H20F3N5O2/c1-11-2-3-14-22-8-12(16(27)25(14)10-11)15(26)23-9-13(17(18,19)20)24-6-4-21-5-7-24/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,23,26)
InChIKeyIJTFNQUZHUONAB-UHFFFAOYSA-N
XLogP0.57
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-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-(Butan-2-YL)-7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 20878713
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-(5-fluoro-6-oxo-1H-pyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 137374197
3-(6,9-Diazaspiro[4.5]dec-2-en-6-ylmethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681653
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
8-fluoro-2-(6-oxo-1,6-dihydropyridine-3-carbonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91818348
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)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120408936

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 120813731) is 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IJTFNQUZHUONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11-2-3-14-22-8-12(16(27)25(14)10-11)15(26)23-9-13(17(18,19)20)24-6-4-21-5-7-24/h2-3,8,10,13,21H,4-7,9H2,1H3,(H,23,26).
What are the key properties of 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120813731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).