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

C17H10ClF3N4O3 — CID 22480362

IUPAC5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c3ccccc23)o1
InChIInChI=1S/C17H9F3N4O3.ClH/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);1H
InChIKeyBRJFRLHJUTZGNX-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.21
Rot. Bonds3

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

5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride (PubChem CID 22480362) has the molecular formula C17H10ClF3N4O3 and a molecular weight of 410.74 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride
PubChem CID22480362
Molecular FormulaC17H10ClF3N4O3
Molecular Weight410.74 g/mol
Exact Mass410.04
IUPAC Name5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c3ccccc23)o1
InChIInChI=1S/C17H9F3N4O3.ClH/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);1H
InChIKeyBRJFRLHJUTZGNX-UHFFFAOYSA-N
XLogP4.21
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.21
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;hydrochloride?
The IUPAC name of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride (CID 22480362) is 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is BRJFRLHJUTZGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O3.ClH/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);1H.
What are the key properties of 5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride?
5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]indazol-3-yl]furan-2-carboxylic acid;hydrochloride has a molecular weight of 410.74 g/mol, XLogP of 4.21, 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;hydrochloride is sourced from PubChem (CID 22480362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).