N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide

C16H12F3N5O — CID 154760719

IUPACN-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cncc(N2c3ccccc3CC2CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)15(25)22-8-12-5-10-3-1-2-4-13(10)24(12)14-9-21-7-11(6-20)23-14/h1-4,7,9,12H,5,8H2,(H,22,25)
InChIKeyZPGCLUZKUBRIDI-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.09
Rot. Bonds3

About N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 154760719) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID154760719
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESN#Cc1cncc(N2c3ccccc3CC2CNC(=O)C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)15(25)22-8-12-5-10-3-1-2-4-13(10)24(12)14-9-21-7-11(6-20)23-14/h1-4,7,9,12H,5,8H2,(H,22,25)
InChIKeyZPGCLUZKUBRIDI-UHFFFAOYSA-N
XLogP2.09
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

(2S,4S)-4-(2-chlorophenyl)sulfonyl-1-(6-cyanopyrazin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 57335048
6-[(11aS)-1,3,4,5,11,11a-hexahydro-[1,4]diazepino[1,2-a]indol-2-yl]pyrazine-2-carbonitrile
CID 129347841
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
CID 66466369
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
CID 124756454
4-[[5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112969500
2,2,2-trifluoro-N-[(2R,3S)-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-3-yl]acetamide
CID 71490643
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224902
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 154760719) is N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide is N#Cc1cncc(N2c3ccccc3CC2CNC(=O)C(F)(F)F)n1.
What is the InChIKey of N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZPGCLUZKUBRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)15(25)22-8-12-5-10-3-1-2-4-13(10)24(12)14-9-21-7-11(6-20)23-14/h1-4,7,9,12H,5,8H2,(H,22,25).
What are the key properties of N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 347.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyanopyrazin-2-yl)-2,3-dihydroindol-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 154760719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).