N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C19H16FN5O2S — CID 24746887

IUPACN-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C
InChIInChI=1S/C19H16FN5O2S/c1-25-15-8-7-11(27-2)9-12(15)17-18(25)22-19(24-23-17)28-10-16(26)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,26)
InChIKeySVPMDMVNRUDMER-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.39
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 24746887) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID24746887
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC NameN-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C
InChIInChI=1S/C19H16FN5O2S/c1-25-15-8-7-11(27-2)9-12(15)17-18(25)22-19(24-23-17)28-10-16(26)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,26)
InChIKeySVPMDMVNRUDMER-UHFFFAOYSA-N
XLogP3.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 24746887) is N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is COc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C.
What is the InChIKey of N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is SVPMDMVNRUDMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-25-15-8-7-11(27-2)9-12(15)17-18(25)22-19(24-23-17)28-10-16(26)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,26).
What are the key properties of N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24746887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).