2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H10F3N5O2 — CID 71279666

IUPAC2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10F3N5O2/c1-24-11-3-2-7(16(17,18)19)4-8(11)12(23-24)10-6-21-14-13(22-10)9(5-20-14)15(25)26/h2-6H,1H3,(H,20,21)(H,25,26)
InChIKeyXOEKPJQHWGRRTJ-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279666) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279666
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10F3N5O2/c1-24-11-3-2-7(16(17,18)19)4-8(11)12(23-24)10-6-21-14-13(22-10)9(5-20-14)15(25)26/h2-6H,1H3,(H,20,21)(H,25,26)
InChIKeyXOEKPJQHWGRRTJ-UHFFFAOYSA-N
XLogP3.23
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279666) is 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is XOEKPJQHWGRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c1-24-11-3-2-7(16(17,18)19)4-8(11)12(23-24)10-6-21-14-13(22-10)9(5-20-14)15(25)26/h2-6H,1H3,(H,20,21)(H,25,26).
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 361.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).