2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

C20H17FN4O3 — CID 20884907

IUPAC2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2ncn3c(cc4cc(F)ccc43)c2=O)c1
InChIInChI=1S/C20H17FN4O3/c1-28-16-4-2-3-13(7-16)10-22-19(26)11-25-20(27)18-9-14-8-15(21)5-6-17(14)24(18)12-23-25/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyRBZCUWGFHIERQY-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.11
Rot. Bonds5

About 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide

2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 20884907) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID20884907
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2ncn3c(cc4cc(F)ccc43)c2=O)c1
InChIInChI=1S/C20H17FN4O3/c1-28-16-4-2-3-13(7-16)10-22-19(26)11-25-20(27)18-9-14-8-15(21)5-6-17(14)24(18)12-23-25/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyRBZCUWGFHIERQY-UHFFFAOYSA-N
XLogP2.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884948
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 20884932
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20887364
2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
CID 46393698
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 6623376
N-[(3-bromophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 4615733
N-[(4-fluorophenyl)methyl]-2-[7-(3-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906571
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
5-iodo-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylic acid
CID 166720894
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 20884907) is 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2ncn3c(cc4cc(F)ccc43)c2=O)c1.
What is the InChIKey of 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is RBZCUWGFHIERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-28-16-4-2-3-13(7-16)10-22-19(26)11-25-20(27)18-9-14-8-15(21)5-6-17(14)24(18)12-23-25/h2-9,12H,10-11H2,1H3,(H,22,26).
What are the key properties of 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20884907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).