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

C24H19F3N6O2 — CID 155153332

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H19F3N6O2/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)15-10-18(17-6-8-29-19(17)11-15)14-7-9-33-21(12-14)31-23(28)32-33/h2-13,29H,1H3,(H2,28,32)(H,30,34)
InChIKeyDANMFIBGQCMBIJ-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.85
Rot. Bonds5

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

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide (PubChem CID 155153332) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide
PubChem CID155153332
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H19F3N6O2/c1-13(16-4-2-3-5-20(16)35-24(25,26)27)30-22(34)15-10-18(17-6-8-29-19(17)11-15)14-7-9-33-21(12-14)31-23(28)32-33/h2-13,29H,1H3,(H2,28,32)(H,30,34)
InChIKeyDANMFIBGQCMBIJ-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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Related Compounds

N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
PI3K|A inhibitor 5
CID 155384203
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
N-{2-Fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]-benzyl}-4-trifluoromethoxy-benzamide
CID 121249871
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]-N-(4-hydroxy-4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383503
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383531
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-(difluoromethoxy)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163212515
N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551960
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551961
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551965

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide (CID 155153332) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cc[nH]c2c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide?
The InChIKey is DANMFIBGQCMBIJ-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)15-10-18(17-6-8-29-19(17)11-15)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 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-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 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 155153332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).