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

C24H26F3N3O7 — CID 118951588

IUPAC5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCOCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N3O5.C2HF3O2/c1-3-16-19(23-21(27)18(20(16)26)22(28)29)13-4-5-17-14(10-13)11-15(24(17)2)12-25-6-8-30-9-7-25;3-2(4,5)1(6)7/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,28,29)(H2,23,26,27);(H,6,7)
InChIKeyDNMGRFMFDYQINY-UHFFFAOYSA-N
MW525.48 g/mol
LogP2.97
Rot. Bonds5

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

5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 118951588) has the molecular formula C24H26F3N3O7 and a molecular weight of 525.48 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID118951588
Molecular FormulaC24H26F3N3O7
Molecular Weight525.48 g/mol
Exact Mass525.17
IUPAC Name5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN2CCOCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F
InChIInChI=1S/C22H25N3O5.C2HF3O2/c1-3-16-19(23-21(27)18(20(16)26)22(28)29)13-4-5-17-14(10-13)11-15(24(17)2)12-25-6-8-30-9-7-25;3-2(4,5)1(6)7/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,28,29)(H2,23,26,27);(H,6,7)
InChIKeyDNMGRFMFDYQINY-UHFFFAOYSA-N
XLogP2.97
TPSA145.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 118951588) is 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCc1c(-c2ccc3c(c2)cc(CN2CCOCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.O=C(O)C(F)(F)F.
What is the InChIKey of 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is DNMGRFMFDYQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5.C2HF3O2/c1-3-16-19(23-21(27)18(20(16)26)22(28)29)13-4-5-17-14(10-13)11-15(24(17)2)12-25-6-8-30-9-7-25;3-2(4,5)1(6)7/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,28,29)(H2,23,26,27);(H,6,7).
What are the key properties of 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 525.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-[1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118951588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).