6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole

C17H12F4N4O — CID 163221219

IUPAC6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole
SMILESCc1cc2cc(-c3c(C)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccn2n1
InChIInChI=1S/C17H12F4N4O/c1-8-5-11-6-10(3-4-25(11)24-8)13-9(2)14(18)16(26-17(19,20)21)15-12(13)7-22-23-15/h3-7H,1-2H3,(H,22,23)
InChIKeyAAVFBOMHTHXDHR-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.53
Rot. Bonds2

About 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole

6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole (PubChem CID 163221219) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole
PubChem CID163221219
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole
SMILESCc1cc2cc(-c3c(C)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccn2n1
InChIInChI=1S/C17H12F4N4O/c1-8-5-11-6-10(3-4-25(11)24-8)13-9(2)14(18)16(26-17(19,20)21)15-12(13)7-22-23-15/h3-7H,1-2H3,(H,22,23)
InChIKeyAAVFBOMHTHXDHR-UHFFFAOYSA-N
XLogP4.53
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole (CID 163221219) is 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole is Cc1cc2cc(-c3c(C)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccn2n1.
What is the InChIKey of 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole?
The InChIKey is AAVFBOMHTHXDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c1-8-5-11-6-10(3-4-25(11)24-8)13-9(2)14(18)16(26-17(19,20)21)15-12(13)7-22-23-15/h3-7H,1-2H3,(H,22,23).
What are the key properties of 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole?
6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole has a molecular weight of 364.30 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 163221219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).