1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide

C20H21F3N4O4 — CID 23193438

IUPAC1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide
SMILESCC(C)C(NC(=O)Cn1ccc2c([nH]c3c(C(N)=O)cccc32)c1=O)C(O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O4/c1-9(2)14(17(29)20(21,22)23)25-13(28)8-27-7-6-11-10-4-3-5-12(18(24)30)15(10)26-16(11)19(27)31/h3-7,9,14,17,26,29H,8H2,1-2H3,(H2,24,30)(H,25,28)
InChIKeyBWQIRMYLHZMUQA-UHFFFAOYSA-N
MW438.41 g/mol
LogP1.65
Rot. Bonds6

About 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide

1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide (PubChem CID 23193438) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide.

Molecular Properties

Compound Name1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide
PubChem CID23193438
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide
SMILESCC(C)C(NC(=O)Cn1ccc2c([nH]c3c(C(N)=O)cccc32)c1=O)C(O)C(F)(F)F
InChIInChI=1S/C20H21F3N4O4/c1-9(2)14(17(29)20(21,22)23)25-13(28)8-27-7-6-11-10-4-3-5-12(18(24)30)15(10)26-16(11)19(27)31/h3-7,9,14,17,26,29H,8H2,1-2H3,(H2,24,30)(H,25,28)
InChIKeyBWQIRMYLHZMUQA-UHFFFAOYSA-N
XLogP1.65
TPSA130.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxylate
CID 23193437
2-[2,4,8-trioxo-7-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-1H-pyrido[3,4-d]pyrimidin-3-yl]acetic acid
CID 10527442
1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-8-carboxylic acid
CID 10048920
2-[3-[2-(benzylamino)-2-oxoethyl]-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10746338
2-[3-[2-(methylamino)-2-oxoethyl]-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 11800517
2-[3-(2-methyl-1-phenylpropan-2-yl)-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10746120
N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[3-(2-methyl-1-phenylpropan-2-yl)-2,4,8-trioxo-1H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
CID 10556075
2-[3-(2,2-dimethoxyethyl)-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10506940
methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 10456684
2-(6-chloro-1-oxo-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10455471
5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 23191611
4-[2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]ethyl]benzoic acid
CID 22405560

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide?
The IUPAC name of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide (CID 23193438) is 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide.
What is the SMILES notation for 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide?
The canonical SMILES for 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide is CC(C)C(NC(=O)Cn1ccc2c([nH]c3c(C(N)=O)cccc32)c1=O)C(O)C(F)(F)F.
What is the InChIKey of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide?
The InChIKey is BWQIRMYLHZMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-9(2)14(17(29)20(21,22)23)25-13(28)8-27-7-6-11-10-4-3-5-12(18(24)30)15(10)26-16(11)19(27)31/h3-7,9,14,17,26,29H,8H2,1-2H3,(H2,24,30)(H,25,28).
What are the key properties of 1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide?
1-oxo-2-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 4 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-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-9H-pyrido[3,4-b]indole-8-carboxamide is sourced from PubChem (CID 23193438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).