5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C20H19F4N3O6 — CID 118951207

IUPAC5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccc3c(F)c(CNC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18FN3O4.C2HF3O2/c1-3-9-15(22-17(24)13(16(9)23)18(25)26)8-4-5-10-11(6-8)21-12(7-20-2)14(10)19;3-2(4,5)1(6)7/h4-6,20-21H,3,7H2,1-2H3,(H,25,26)(H2,22,23,24);(H,6,7)
InChIKeyHNFHPRGPBMTFAR-UHFFFAOYSA-N
MW473.38 g/mol
LogP2.98
Rot. Bonds5

About 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 118951207) has the molecular formula C20H19F4N3O6 and a molecular weight of 473.38 g/mol. Its IUPAC name is 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID118951207
Molecular FormulaC20H19F4N3O6
Molecular Weight473.38 g/mol
Exact Mass473.12
IUPAC Name5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccc3c(F)c(CNC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18FN3O4.C2HF3O2/c1-3-9-15(22-17(24)13(16(9)23)18(25)26)8-4-5-10-11(6-8)21-12(7-20-2)14(10)19;3-2(4,5)1(6)7/h4-6,20-21H,3,7H2,1-2H3,(H,25,26)(H2,22,23,24);(H,6,7)
InChIKeyHNFHPRGPBMTFAR-UHFFFAOYSA-N
XLogP2.98
TPSA155.51 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 52.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid 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 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 118951207) is 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCc1c(-c2ccc3c(F)c(CNC)[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F.
What is the InChIKey of 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HNFHPRGPBMTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4.C2HF3O2/c1-3-9-15(22-17(24)13(16(9)23)18(25)26)8-4-5-10-11(6-8)21-12(7-20-2)14(10)19;3-2(4,5)1(6)7/h4-6,20-21H,3,7H2,1-2H3,(H,25,26)(H2,22,23,24);(H,6,7).
What are the key properties of 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 473.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[3-fluoro-2-(methylaminomethyl)-1H-indol-6-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118951207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).