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

C23H17F4N7O2 — CID 155146669

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21
InChIInChI=1S/C23H17F4N7O2/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35)
InChIKeyDYUUYLGIFGSTDF-UHFFFAOYSA-N
MW499.43 g/mol
LogP3.83
Rot. Bonds5

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

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide (PubChem CID 155146669) has the molecular formula C23H17F4N7O2 and a molecular weight of 499.43 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide
PubChem CID155146669
Molecular FormulaC23H17F4N7O2
Molecular Weight499.43 g/mol
Exact Mass499.14
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21
InChIInChI=1S/C23H17F4N7O2/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35)
InChIKeyDYUUYLGIFGSTDF-UHFFFAOYSA-N
XLogP3.83
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.43
LogP ≤ 53.83
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)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide (CID 155146669) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
The InChIKey is DYUUYLGIFGSTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N7O2/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35).
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide has a molecular weight of 499.43 g/mol, XLogP of 3.83, 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)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 155146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).