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

C17H20F3N5O2 — CID 120811999

IUPAC8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1
InChIInChI=1S/C17H20F3N5O2/c1-11-2-5-25-14(8-11)22-9-12(16(25)27)15(26)23-10-13(17(18,19)20)24-6-3-21-4-7-24/h2,5,8-9,13,21H,3-4,6-7,10H2,1H3,(H,23,26)
InChIKeyRYKNHXFJBLOTHK-UHFFFAOYSA-N
MW383.37 g/mol
LogP0.57
Rot. Bonds4

About 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120811999) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120811999
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1
InChIInChI=1S/C17H20F3N5O2/c1-11-2-5-25-14(8-11)22-9-12(16(25)27)15(26)23-10-13(17(18,19)20)24-6-3-21-4-7-24/h2,5,8-9,13,21H,3-4,6-7,10H2,1H3,(H,23,26)
InChIKeyRYKNHXFJBLOTHK-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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 120811999) is 8-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 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1.
What is the InChIKey of 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RYKNHXFJBLOTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11-2-5-25-14(8-11)22-9-12(16(25)27)15(26)23-10-13(17(18,19)20)24-6-3-21-4-7-24/h2,5,8-9,13,21H,3-4,6-7,10H2,1H3,(H,23,26).
What are the key properties of 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
8-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 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120811999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).