1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid

C23H24F3N3O5 — CID 10028081

IUPAC1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid
SMILESCC(C)c1cc2c([nH]c3c(C(=O)O)cccc32)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C23H24F3N3O5/c1-10(2)15-8-14-12-6-5-7-13(22(33)34)18(12)28-19(14)21(32)29(15)9-16(30)27-17(11(3)4)20(31)23(24,25)26/h5-8,10-11,17,28H,9H2,1-4H3,(H,27,30)(H,33,34)
InChIKeyWULZPBDMMDHYTB-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.58
Rot. Bonds7

About 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid

1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid (PubChem CID 10028081) has the molecular formula C23H24F3N3O5 and a molecular weight of 479.46 g/mol. Its IUPAC name is 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid.

Molecular Properties

Compound Name1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid
PubChem CID10028081
Molecular FormulaC23H24F3N3O5
Molecular Weight479.46 g/mol
Exact Mass479.17
IUPAC Name1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid
SMILESCC(C)c1cc2c([nH]c3c(C(=O)O)cccc32)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C23H24F3N3O5/c1-10(2)15-8-14-12-6-5-7-13(22(33)34)18(12)28-19(14)21(32)29(15)9-16(30)27-17(11(3)4)20(31)23(24,25)26/h5-8,10-11,17,28H,9H2,1-4H3,(H,27,30)(H,33,34)
InChIKeyWULZPBDMMDHYTB-UHFFFAOYSA-N
XLogP3.58
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid?
The IUPAC name of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid (CID 10028081) is 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid.
What is the SMILES notation for 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid?
The canonical SMILES for 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid is CC(C)c1cc2c([nH]c3c(C(=O)O)cccc32)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid?
The InChIKey is WULZPBDMMDHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O5/c1-10(2)15-8-14-12-6-5-7-13(22(33)34)18(12)28-19(14)21(32)29(15)9-16(30)27-17(11(3)4)20(31)23(24,25)26/h5-8,10-11,17,28H,9H2,1-4H3,(H,27,30)(H,33,34).
What are the key properties of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid?
1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid has a molecular weight of 479.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-3-propan-2-yl-9H-pyrido[3,4-b]indole-8-carboxylic acid is sourced from PubChem (CID 10028081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).