5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid

C17H9F3N4O3 — CID 22480363

IUPAC5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c3ccccc23)o1
InChIInChI=1S/C17H9F3N4O3/c18-17(19,20)13-7-8-21-16(22-13)24-10-4-2-1-3-9(10)14(23-24)11-5-6-12(27-11)15(25)26/h1-8H,(H,25,26)
InChIKeyLYJIHEOSNOZFQQ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.79
Rot. Bonds3

About 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid

5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid (PubChem CID 22480363) has the molecular formula C17H9F3N4O3 and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid
PubChem CID22480363
Molecular FormulaC17H9F3N4O3
Molecular Weight374.28 g/mol
Exact Mass374.06
IUPAC Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c3ccccc23)o1
InChIInChI=1S/C17H9F3N4O3/c18-17(19,20)13-7-8-21-16(22-13)24-10-4-2-1-3-9(10)14(23-24)11-5-6-12(27-11)15(25)26/h1-8H,(H,25,26)
InChIKeyLYJIHEOSNOZFQQ-UHFFFAOYSA-N
XLogP3.79
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid (CID 22480363) is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c3ccccc23)o1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid?
The InChIKey is LYJIHEOSNOZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O3/c18-17(19,20)13-7-8-21-16(22-13)24-10-4-2-1-3-9(10)14(23-24)11-5-6-12(27-11)15(25)26/h1-8H,(H,25,26).
What are the key properties of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid?
5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid has a molecular weight of 374.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid is sourced from PubChem (CID 22480363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).