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

C23H18F3N7O2 — CID 155146703

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H18F3N7O2/c1-12(15-4-2-3-5-19(15)35-23(24,25)26)29-21(34)14-8-16(17-11-28-31-18(17)9-14)13-6-7-33-20(10-13)30-22(27)32-33/h2-12H,1H3,(H2,27,32)(H,28,31)(H,29,34)
InChIKeyZOIJKGIKWPZHQI-UHFFFAOYSA-N
MW481.44 g/mol
LogP4.24
Rot. Bonds5

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

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (PubChem CID 155146703) has the molecular formula C23H18F3N7O2 and a molecular weight of 481.44 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-indazole-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-indazole-6-carboxamide
PubChem CID155146703
Molecular FormulaC23H18F3N7O2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C23H18F3N7O2/c1-12(15-4-2-3-5-19(15)35-23(24,25)26)29-21(34)14-8-16(17-11-28-31-18(17)9-14)13-6-7-33-20(10-13)30-22(27)32-33/h2-12H,1H3,(H2,27,32)(H,28,31)(H,29,34)
InChIKeyZOIJKGIKWPZHQI-UHFFFAOYSA-N
XLogP4.24
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-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-indazole-6-carboxamide (CID 155146703) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-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-indazole-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-indazole-6-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)c2cn[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-indazole-6-carboxamide?
The InChIKey is ZOIJKGIKWPZHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O2/c1-12(15-4-2-3-5-19(15)35-23(24,25)26)29-21(34)14-8-16(17-11-28-31-18(17)9-14)13-6-7-33-20(10-13)30-22(27)32-33/h2-12H,1H3,(H2,27,32)(H,28,31)(H,29,34).
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-indazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide has a molecular weight of 481.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-indazole-6-carboxamide is sourced from PubChem (CID 155146703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).