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

C19H13ClF3N5O — CID 142414619

IUPACN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H13ClF3N5O/c1-28-17(24-9-25-28)18(29)26-12-4-2-10-6-16(27-15(10)8-12)13-7-11(20)3-5-14(13)19(21,22)23/h2-9,27H,1H3,(H,26,29)
InChIKeyRIFVQLXXBAGIBG-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.89
Rot. Bonds3

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

N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 142414619) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID142414619
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC NameN-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H13ClF3N5O/c1-28-17(24-9-25-28)18(29)26-12-4-2-10-6-16(27-15(10)8-12)13-7-11(20)3-5-14(13)19(21,22)23/h2-9,27H,1H3,(H,26,29)
InChIKeyRIFVQLXXBAGIBG-UHFFFAOYSA-N
XLogP4.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-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 N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 142414619) is N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)Nc1ccc2cc(-c3cc(Cl)ccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is RIFVQLXXBAGIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c1-28-17(24-9-25-28)18(29)26-12-4-2-10-6-16(27-15(10)8-12)13-7-11(20)3-5-14(13)19(21,22)23/h2-9,27H,1H3,(H,26,29).
What are the key properties of N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 419.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142414619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).