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

C24H20F3N7O2 — CID 155146762

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34/h3-13H,1-2H3,(H2,28,32)(H,30,35)
InChIKeyRIOPAAUPHIFFAJ-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.25
Rot. Bonds5

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

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide (PubChem CID 155146762) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
PubChem CID155146762
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34/h3-13H,1-2H3,(H2,28,32)(H,30,35)
InChIKeyRIOPAAUPHIFFAJ-UHFFFAOYSA-N
XLogP4.25
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide (CID 155146762) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cnn(C)c2c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
The InChIKey is RIOPAAUPHIFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-33(2)19(18)10-15)14-7-8-34-21(11-14)31-23(28)32-34/h3-13H,1-2H3,(H2,28,32)(H,30,35).
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide is sourced from PubChem (CID 155146762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).