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

C17H11F3N4O2 — CID 136953114

IUPAC2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc2ccc(C(F)(F)F)cc2c1-c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C17H11F3N4O2/c1-24-15(10-6-8(17(18,19)20)2-3-11(10)23-24)13-7-12-14(22-13)9(16(25)26)4-5-21-12/h2-7,22H,1H3,(H,25,26)
InChIKeyWDHQBGALOHCKFG-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.83
Rot. Bonds2

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

2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (PubChem CID 136953114) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
PubChem CID136953114
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
SMILESCn1nc2ccc(C(F)(F)F)cc2c1-c1cc2nccc(C(=O)O)c2[nH]1
InChIInChI=1S/C17H11F3N4O2/c1-24-15(10-6-8(17(18,19)20)2-3-11(10)23-24)13-7-12-14(22-13)9(16(25)26)4-5-21-12/h2-7,22H,1H3,(H,25,26)
InChIKeyWDHQBGALOHCKFG-UHFFFAOYSA-N
XLogP3.83
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (CID 136953114) is 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is Cn1nc2ccc(C(F)(F)F)cc2c1-c1cc2nccc(C(=O)O)c2[nH]1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is WDHQBGALOHCKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c1-24-15(10-6-8(17(18,19)20)2-3-11(10)23-24)13-7-12-14(22-13)9(16(25)26)4-5-21-12/h2-7,22H,1H3,(H,25,26).
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid?
2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 360.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 136953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).