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

C17H21ClF3N5O2 — CID 120811998

IUPAC8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1.Cl
InChIInChI=1S/C17H20F3N5O2.ClH/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);1H
InChIKeyOPZGAURNFQDOPN-UHFFFAOYSA-N
MW419.84 g/mol
LogP0.99
Rot. Bonds4

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

8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120811998) has the molecular formula C17H21ClF3N5O2 and a molecular weight of 419.84 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;hydrochloride.

Molecular Properties

Compound Name8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120811998
Molecular FormulaC17H21ClF3N5O2
Molecular Weight419.84 g/mol
Exact Mass419.13
IUPAC Name8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1.Cl
InChIInChI=1S/C17H20F3N5O2.ClH/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);1H
InChIKeyOPZGAURNFQDOPN-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 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 120811998) is 8-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 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cc1ccn2c(=O)c(C(=O)NCC(N3CCNCC3)C(F)(F)F)cnc2c1.Cl.
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;hydrochloride?
The InChIKey is OPZGAURNFQDOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2.ClH/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);1H.
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;hydrochloride?
8-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 8-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 120811998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).