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

C20H23FN4O2 — CID 20884971

IUPAC2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2C)c(=O)c2cc3cc(F)ccc3n12
InChIInChI=1S/C20H23FN4O2/c1-12-5-3-4-6-16(12)22-19(26)11-24-20(27)18-10-14-9-15(21)7-8-17(14)25(18)13(2)23-24/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,26)
InChIKeyCXPPCKRLDPLIHD-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.79
Rot. Bonds3

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

2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 20884971) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID20884971
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2C)c(=O)c2cc3cc(F)ccc3n12
InChIInChI=1S/C20H23FN4O2/c1-12-5-3-4-6-16(12)22-19(26)11-24-20(27)18-10-14-9-15(21)7-8-17(14)25(18)13(2)23-24/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,26)
InChIKeyCXPPCKRLDPLIHD-UHFFFAOYSA-N
XLogP2.79
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide (CID 20884971) is 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide is Cc1nn(CC(=O)NC2CCCCC2C)c(=O)c2cc3cc(F)ccc3n12.
What is the InChIKey of 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is CXPPCKRLDPLIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-5-3-4-6-16(12)22-19(26)11-24-20(27)18-10-14-9-15(21)7-8-17(14)25(18)13(2)23-24/h7-10,12,16H,3-6,11H2,1-2H3,(H,22,26).
What are the key properties of 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide?
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 20884971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).