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

C16H19ClF3N5O2 — CID 120811566

IUPAC4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18F3N5O2.ClH/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);1H
InChIKeyPYZKCWHUOVPYJU-UHFFFAOYSA-N
MW405.81 g/mol
LogP0.68
Rot. Bonds4

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

4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 120811566) has the molecular formula C16H19ClF3N5O2 and a molecular weight of 405.81 g/mol. Its IUPAC name is 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID120811566
Molecular FormulaC16H19ClF3N5O2
Molecular Weight405.81 g/mol
Exact Mass405.12
IUPAC Name4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H18F3N5O2.ClH/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);1H
InChIKeyPYZKCWHUOVPYJU-UHFFFAOYSA-N
XLogP0.68
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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;hydrochloride?
The IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 120811566) is 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 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is PYZKCWHUOVPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2.ClH/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);1H.
What are the key properties of 4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 405.81 g/mol, XLogP of 0.68, 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;hydrochloride is sourced from PubChem (CID 120811566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).