2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

C19H15F3N6O — CID 135303163

IUPAC2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1
InChIInChI=1S/C19H15F3N6O/c1-10-3-5-13(19(20,21)22)12(7-10)14-8-11-4-6-15(26-16(11)25-14)27-18(29)17-23-9-24-28(17)2/h3-9H,1-2H3,(H2,25,26,27,29)
InChIKeyRAXHYXOQZDFZMS-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.94
Rot. Bonds3

About 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide

2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 135303163) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID135303163
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1
InChIInChI=1S/C19H15F3N6O/c1-10-3-5-13(19(20,21)22)12(7-10)14-8-11-4-6-15(26-16(11)25-14)27-18(29)17-23-9-24-28(17)2/h3-9H,1-2H3,(H2,25,26,27,29)
InChIKeyRAXHYXOQZDFZMS-UHFFFAOYSA-N
XLogP3.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-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 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide (CID 135303163) is 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)nc3[nH]2)c1.
What is the InChIKey of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is RAXHYXOQZDFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c1-10-3-5-13(19(20,21)22)12(7-10)14-8-11-4-6-15(26-16(11)25-14)27-18(29)17-23-9-24-28(17)2/h3-9H,1-2H3,(H2,25,26,27,29).
What are the key properties of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide?
2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).