N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

C24H19F3N6OS — CID 39537783

IUPACN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc3ccc(C(F)(F)F)cn13)CCCC2
InChIInChI=1S/C24H19F3N6OS/c25-24(26,27)15-10-11-20-30-31-23(32(20)13-15)35-14-21(34)29-22-18(12-28)17-8-4-5-9-19(17)33(22)16-6-2-1-3-7-16/h1-3,6-7,10-11,13H,4-5,8-9,14H2,(H,29,34)
InChIKeyLROCDYCUSPPKDP-UHFFFAOYSA-N
MW496.52 g/mol
LogP5.02
Rot. Bonds5

About N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (PubChem CID 39537783) has the molecular formula C24H19F3N6OS and a molecular weight of 496.52 g/mol. Its IUPAC name is N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
PubChem CID39537783
Molecular FormulaC24H19F3N6OS
Molecular Weight496.52 g/mol
Exact Mass496.13
IUPAC NameN-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc3ccc(C(F)(F)F)cn13)CCCC2
InChIInChI=1S/C24H19F3N6OS/c25-24(26,27)15-10-11-20-30-31-23(32(20)13-15)35-14-21(34)29-22-18(12-28)17-8-4-5-9-19(17)33(22)16-6-2-1-3-7-16/h1-3,6-7,10-11,13H,4-5,8-9,14H2,(H,29,34)
InChIKeyLROCDYCUSPPKDP-UHFFFAOYSA-N
XLogP5.02
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (CID 39537783) is N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nnc3ccc(C(F)(F)F)cn13)CCCC2.
What is the InChIKey of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The InChIKey is LROCDYCUSPPKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6OS/c25-24(26,27)15-10-11-20-30-31-23(32(20)13-15)35-14-21(34)29-22-18(12-28)17-8-4-5-9-19(17)33(22)16-6-2-1-3-7-16/h1-3,6-7,10-11,13H,4-5,8-9,14H2,(H,29,34).
What are the key properties of N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide has a molecular weight of 496.52 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 39537783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).