3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide

C19H14F3N5O — CID 23503686

IUPAC3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide
SMILESCc1c(C(F)(F)F)[nH]c2c(C(=O)Nc3cccc(-n4cncn4)c3)cccc12
InChIInChI=1S/C19H14F3N5O/c1-11-14-6-3-7-15(16(14)26-17(11)19(20,21)22)18(28)25-12-4-2-5-13(8-12)27-10-23-9-24-27/h2-10,26H,1H3,(H,25,28)
InChIKeyRPSAGHOGPCDYQE-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.33
Rot. Bonds3

About 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide

3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide (PubChem CID 23503686) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide
PubChem CID23503686
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide
SMILESCc1c(C(F)(F)F)[nH]c2c(C(=O)Nc3cccc(-n4cncn4)c3)cccc12
InChIInChI=1S/C19H14F3N5O/c1-11-14-6-3-7-15(16(14)26-17(11)19(20,21)22)18(28)25-12-4-2-5-13(8-12)27-10-23-9-24-27/h2-10,26H,1H3,(H,25,28)
InChIKeyRPSAGHOGPCDYQE-UHFFFAOYSA-N
XLogP4.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide?
The IUPAC name of 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide (CID 23503686) is 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide is Cc1c(C(F)(F)F)[nH]c2c(C(=O)Nc3cccc(-n4cncn4)c3)cccc12.
What is the InChIKey of 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide?
The InChIKey is RPSAGHOGPCDYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-14-6-3-7-15(16(14)26-17(11)19(20,21)22)18(28)25-12-4-2-5-13(8-12)27-10-23-9-24-27/h2-10,26H,1H3,(H,25,28).
What are the key properties of 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide?
3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 23503686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).