3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C15H10F3N3OS — CID 11439118

IUPAC3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)8-4-1-2-6-10(8)23-13-11-9(5-3-7-20-11)21-12(13)14(19)22/h1-7,21H,(H2,19,22)
InChIKeyMFLJGAOJTLNMIC-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.83
Rot. Bonds3

About 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 11439118) has the molecular formula C15H10F3N3OS and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID11439118
Molecular FormulaC15H10F3N3OS
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC Name3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1Sc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)8-4-1-2-6-10(8)23-13-11-9(5-3-7-20-11)21-12(13)14(19)22/h1-7,21H,(H2,19,22)
InChIKeyMFLJGAOJTLNMIC-UHFFFAOYSA-N
XLogP3.83
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide 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 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 11439118) is 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is NC(=O)c1[nH]c2cccnc2c1Sc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is MFLJGAOJTLNMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS/c16-15(17,18)8-4-1-2-6-10(8)23-13-11-9(5-3-7-20-11)21-12(13)14(19)22/h1-7,21H,(H2,19,22).
What are the key properties of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 11439118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).