2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide

C21H18F3N3O4 — CID 153381837

IUPAC2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)c1cn2ccn(C3CCCC3)c(=O)c2c(O)c1=O
InChIInChI=1S/C21H18F3N3O4/c22-11-7-15(23)13(16(24)8-11)9-25-20(30)14-10-26-5-6-27(12-3-1-2-4-12)21(31)17(26)19(29)18(14)28/h5-8,10,12,29H,1-4,9H2,(H,25,30)
InChIKeyRYDRBKGVGRELQM-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.63
Rot. Bonds4

About 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide

2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 153381837) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID153381837
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)c1cn2ccn(C3CCCC3)c(=O)c2c(O)c1=O
InChIInChI=1S/C21H18F3N3O4/c22-11-7-15(23)13(16(24)8-11)9-25-20(30)14-10-26-5-6-27(12-3-1-2-4-12)21(31)17(26)19(29)18(14)28/h5-8,10,12,29H,1-4,9H2,(H,25,30)
InChIKeyRYDRBKGVGRELQM-UHFFFAOYSA-N
XLogP2.63
TPSA92.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-hydroxy-2,5-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 144774314
(14S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 167295236
(1S,14S)-6-hydroxy-14-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155155251
11,11-difluoro-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.5.1.02,7]pentadeca-3,6-diene-4-carboxamide
CID 155190176
(11S,16R)-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-17-thia-3,10-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-4,7-diene-5-carboxamide
CID 148777481
9-hydroxy-2,7-dimethyl-8,10-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,3,4,5,6-hexahydropyrido[1,2-b][1,2,5]triazecine-11-carboxamide
CID 164590445
(11R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 90328202
(1S,13R)-13-(fluoromethyl)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155155448
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-hydroxybutyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
CID 170855321
(1S,10S)-11,11-difluoro-6-hydroxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145694
5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-thia-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 147617742
(1R,11R,14S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatetracyclo[7.5.1.111,14.02,7]hexadeca-3,6-diene-4-carboxamide
CID 155145419

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide (CID 153381837) is 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1cn2ccn(C3CCCC3)c(=O)c2c(O)c1=O.
What is the InChIKey of 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is RYDRBKGVGRELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c22-11-7-15(23)13(16(24)8-11)9-25-20(30)14-10-26-5-6-27(12-3-1-2-4-12)21(31)17(26)19(29)18(14)28/h5-8,10,12,29H,1-4,9H2,(H,25,30).
What are the key properties of 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide?
2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-hydroxy-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153381837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).