3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C24H23FN4O4 — CID 167283196

IUPAC3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESC=CCOc1cc(F)ccc1[C@H](c1ccccn1)N1CN(CC)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C24H23FN4O4/c1-3-13-33-20-14-16(25)8-9-17(20)21(18-7-5-6-11-26-18)29-15-27(4-2)24(32)22-23(31)19(30)10-12-28(22)29/h3,5-12,14,21,31H,1,4,13,15H2,2H3/t21-/m1/s1
InChIKeyGEKODVUHNHYIOR-OAQYLSRUSA-N
MW450.47 g/mol
LogP2.81
Rot. Bonds7

About 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 167283196) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID167283196
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESC=CCOc1cc(F)ccc1[C@H](c1ccccn1)N1CN(CC)C(=O)c2c(O)c(=O)ccn21
InChIInChI=1S/C24H23FN4O4/c1-3-13-33-20-14-16(25)8-9-17(20)21(18-7-5-6-11-26-18)29-15-27(4-2)24(32)22-23(31)19(30)10-12-28(22)29/h3,5-12,14,21,31H,1,4,13,15H2,2H3/t21-/m1/s1
InChIKeyGEKODVUHNHYIOR-OAQYLSRUSA-N
XLogP2.81
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Related Compounds

5-phenylmethoxy-1-[(2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-3-prop-2-enyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 156780511
1-[(R)-(3-chloro-2-ethoxy-4-fluorophenyl)-pyridin-2-ylmethyl]-5-hydroxy-3-[(3S)-pent-1-en-3-yl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 167283453
3-[(2S)-butan-2-yl]-1-[(R)-(3,4-difluoro-2-prop-2-enoxyphenyl)-phenylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 167283186
1-bromo-2-but-3-enylbenzene;(2-but-3-enylphenyl)-pyridin-2-ylmethanol;1-[(2-but-3-enylphenyl)-pyridin-2-ylmethyl]-5-phenylmethoxy-3-prop-2-enyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;2-[chloro-(2-prop-2-enoxyphenyl)methyl]pyridine;5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;pyridine-2-carbaldehyde;thionyl dichloride
CID 164988367
1-benzyl-3-[(E)-4-(2-chloro-3-fluorophenoxy)but-2-enyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 147573781
3-[(Z)-4-(2-benzylphenoxy)-3-methylbut-2-enyl]-5-hydroxy-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 167028092
[1-[(2-ethoxy-4,5-difluorophenyl)-phenylmethyl]-3-methyl-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate
CID 170176964
methyl N-[1-(4-fluoro-2-prop-2-enoxyphenyl)prop-2-enyl]carbamate
CID 132581445
1-(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-5-hydroxy-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368801
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 167283196) is 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is C=CCOc1cc(F)ccc1[C@H](c1ccccn1)N1CN(CC)C(=O)c2c(O)c(=O)ccn21.
What is the InChIKey of 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is GEKODVUHNHYIOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-3-13-33-20-14-16(25)8-9-17(20)21(18-7-5-6-11-26-18)29-15-27(4-2)24(32)22-23(31)19(30)10-12-28(22)29/h3,5-12,14,21,31H,1,4,13,15H2,2H3/t21-/m1/s1.
What are the key properties of 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 450.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(R)-(4-fluoro-2-prop-2-enoxyphenyl)-pyridin-2-ylmethyl]-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 167283196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).