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

C20H16F3N5O — CID 142414634

IUPAC2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)cc3[nH]2)c1
InChIInChI=1S/C20H16F3N5O/c1-11-3-6-15(20(21,22)23)14(7-11)17-8-12-4-5-13(9-16(12)27-17)26-19(29)18-24-10-25-28(18)2/h3-10,27H,1-2H3,(H,26,29)
InChIKeyKSXLFMQRFVESEM-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.54
Rot. Bonds3

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

2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 142414634) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
PubChem CID142414634
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)cc3[nH]2)c1
InChIInChI=1S/C20H16F3N5O/c1-11-3-6-15(20(21,22)23)14(7-11)17-8-12-4-5-13(9-16(12)27-17)26-19(29)18-24-10-25-28(18)2/h3-10,27H,1-2H3,(H,26,29)
InChIKeyKSXLFMQRFVESEM-UHFFFAOYSA-N
XLogP4.54
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 164554050
US10071079, Example 642
CID 132272490
US10071079, Example 641
CID 132272497
US10071079, Example 716
CID 132272556
US10071079, Example 778
CID 132272616
US10071079, Example 777
CID 132272617
US10478424, Example 250
CID 135319388
US10478424, Example 251
CID 135319392
US10478424, Example 777
CID 135376005
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
CID 44530927
US10071079, Example 196
CID 132272093
US10071079, Example 259
CID 132272140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide (CID 142414634) is 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is Cc1ccc(C(F)(F)F)c(-c2cc3ccc(NC(=O)c4ncnn4C)cc3[nH]2)c1.
What is the InChIKey of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KSXLFMQRFVESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-11-3-6-15(20(21,22)23)14(7-11)17-8-12-4-5-13(9-16(12)27-17)26-19(29)18-24-10-25-28(18)2/h3-10,27H,1-2H3,(H,26,29).
What are the key properties of 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide?
2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-methyl-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142414634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).