6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide

C24H19F3N6O2 — CID 155146845

IUPAC6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cc2[nH]ccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H19F3N6O2/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)18-10-15(11-19-17(18)6-8-29-19)14-7-9-33-21(12-14)31-23(28)32-33/h2-13,29H,1H3,(H2,28,32)(H,30,34)
InChIKeyOXAXKBCXHHOQMH-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.85
Rot. Bonds5

About 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide

6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide (PubChem CID 155146845) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
PubChem CID155146845
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cc2[nH]ccc12)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H19F3N6O2/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)18-10-15(11-19-17(18)6-8-29-19)14-7-9-33-21(12-14)31-23(28)32-33/h2-13,29H,1H3,(H2,28,32)(H,30,34)
InChIKeyOXAXKBCXHHOQMH-UHFFFAOYSA-N
XLogP4.85
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide?
The IUPAC name of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide (CID 155146845) is 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cc2[nH]ccc12)c1ccccc1OC(F)(F)F.
What is the InChIKey of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide?
The InChIKey is OXAXKBCXHHOQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)18-10-15(11-19-17(18)6-8-29-19)14-7-9-33-21(12-14)31-23(28)32-33/h2-13,29H,1H3,(H2,28,32)(H,30,34).
What are the key properties of 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide?
6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 155146845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).