2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid

C17H11F3N4O2 — CID 157038066

IUPAC2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(C(F)(F)F)cn3)c2n1
InChIInChI=1S/C17H11F3N4O2/c1-23-8-12-11-6-9(16(25)26)2-4-13(11)24(15(12)22-23)14-5-3-10(7-21-14)17(18,19)20/h2-8H,1H3,(H,25,26)
InChIKeyAOXJFXYZHLCPQZ-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.63
Rot. Bonds2

About 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid

2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid (PubChem CID 157038066) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid
PubChem CID157038066
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid
SMILESCn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(C(F)(F)F)cn3)c2n1
InChIInChI=1S/C17H11F3N4O2/c1-23-8-12-11-6-9(16(25)26)2-4-13(11)24(15(12)22-23)14-5-3-10(7-21-14)17(18,19)20/h2-8H,1H3,(H,25,26)
InChIKeyAOXJFXYZHLCPQZ-UHFFFAOYSA-N
XLogP3.63
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid?
The IUPAC name of 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid (CID 157038066) is 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid?
The canonical SMILES for 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid is Cn1cc2c3cc(C(=O)O)ccc3n(-c3ccc(C(F)(F)F)cn3)c2n1.
What is the InChIKey of 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid?
The InChIKey is AOXJFXYZHLCPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c1-23-8-12-11-6-9(16(25)26)2-4-13(11)24(15(12)22-23)14-5-3-10(7-21-14)17(18,19)20/h2-8H,1H3,(H,25,26).
What are the key properties of 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid?
2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid has a molecular weight of 360.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid is sourced from PubChem (CID 157038066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).