1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid

C23H20F3N3O3 — CID 67189101

IUPAC1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)C1(c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)C=CC=CN1CCO
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)17-6-3-5-16(13-17)14-29-15-18-19(7-4-8-20(18)27-29)22(21(31)32)9-1-2-10-28(22)11-12-30/h1-10,13,15,30H,11-12,14H2,(H,31,32)
InChIKeyOPJHSFIDFSCHKT-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid

1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 67189101) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid
PubChem CID67189101
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)C1(c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)C=CC=CN1CCO
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)17-6-3-5-16(13-17)14-29-15-18-19(7-4-8-20(18)27-29)22(21(31)32)9-1-2-10-28(22)11-12-30/h1-10,13,15,30H,11-12,14H2,(H,31,32)
InChIKeyOPJHSFIDFSCHKT-UHFFFAOYSA-N
XLogP3.76
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid (CID 67189101) is 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid is O=C(O)C1(c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)C=CC=CN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is OPJHSFIDFSCHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)17-6-3-5-16(13-17)14-29-15-18-19(7-4-8-20(18)27-29)22(21(31)32)9-1-2-10-28(22)11-12-30/h1-10,13,15,30H,11-12,14H2,(H,31,32).
What are the key properties of 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid?
1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 443.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).