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

C17H21ClF3N5O2 — CID 120813730

IUPAC7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1.Cl
InChIInChI=1S/C17H20F3N5O2.ClH/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);1H
InChIKeyQFOQGPDMCYXRHT-UHFFFAOYSA-N
MW419.84 g/mol
LogP0.99
Rot. Bonds4

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

7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120813730) has the molecular formula C17H21ClF3N5O2 and a molecular weight of 419.84 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;hydrochloride.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120813730
Molecular FormulaC17H21ClF3N5O2
Molecular Weight419.84 g/mol
Exact Mass419.13
IUPAC Name7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1.Cl
InChIInChI=1S/C17H20F3N5O2.ClH/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);1H
InChIKeyQFOQGPDMCYXRHT-UHFFFAOYSA-N
XLogP0.99
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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;hydrochloride?
The IUPAC name of 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 120813730) is 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
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;hydrochloride?
The canonical SMILES for 7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccc2ncc(C(=O)NCC(N3CCNCC3)C(F)(F)F)c(=O)n2c1.Cl.
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;hydrochloride?
The InChIKey is QFOQGPDMCYXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2.ClH/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);1H.
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;hydrochloride?
7-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 419.84 g/mol, XLogP of 0.99, 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;hydrochloride is sourced from PubChem (CID 120813730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).