4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide

C42H38F6N6O5 — CID 167665151

IUPAC4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide
SMILESNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc2cc[nH]c12.O=C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C21H18F3N3O2.C12H13F3N2O.C9H7NO2/c22-21(23,24)17-7-2-1-4-14(17)11-27-12-15(10-18(27)28)26-20(29)16-6-3-5-13-8-9-25-19(13)16;13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18;11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-9,15,25H,10-12H2,(H,26,29);1-4,9H,5-7,16H2;1-5,10H,(H,11,12)
InChIKeySNGKLQASADTGJY-UHFFFAOYSA-N
MW820.79 g/mol
LogP7.35
Rot. Bonds7

About 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide

4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide (PubChem CID 167665151) has the molecular formula C42H38F6N6O5 and a molecular weight of 820.79 g/mol. Its IUPAC name is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide
PubChem CID167665151
Molecular FormulaC42H38F6N6O5
Molecular Weight820.79 g/mol
Exact Mass820.28
IUPAC Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide
SMILESNC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc2cc[nH]c12.O=C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C21H18F3N3O2.C12H13F3N2O.C9H7NO2/c22-21(23,24)17-7-2-1-4-14(17)11-27-12-15(10-18(27)28)26-20(29)16-6-3-5-13-8-9-25-19(13)16;13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18;11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-9,15,25H,10-12H2,(H,26,29);1-4,9H,5-7,16H2;1-5,10H,(H,11,12)
InChIKeySNGKLQASADTGJY-UHFFFAOYSA-N
XLogP7.35
TPSA164.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.79
LogP ≤ 57.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide with MolForge

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Related Compounds

(2S)-1-(1H-indole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-indole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768790
US10723742, Example 224
CID 135339623
5-[(Z)-[6-[3-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]anilino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 70692373
3-[(1-Acetylindole-3-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]benzoic acid
CID 141736379
US10723742, Example 222
CID 135339606
3-hydroxy-1-[3-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]propyl]-3-(1H-indol-3-yl)indol-2-one
CID 168272565
3-hydroxy-1-[5-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]pentyl]-3-(1H-indol-3-yl)indol-2-one
CID 168296995
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole-7-carboxylic acid
CID 149463151
2-[[5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]carbamoyl]benzoic acid
CID 22905854
3-hydroxy-1-[2-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]ethyl]-3-(1H-indol-3-yl)indol-2-one
CID 168278803
3-hydroxy-1-[7-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]heptyl]-3-(1H-indol-3-yl)indol-2-one
CID 168284861
3-hydroxy-1-[8-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]octyl]-3-(1H-indol-3-yl)indol-2-one
CID 168287167

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide?
The IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide (CID 167665151) is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide is NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc2cc[nH]c12.O=C(O)c1cccc2cc[nH]c12.
What is the InChIKey of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide?
The InChIKey is SNGKLQASADTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2.C12H13F3N2O.C9H7NO2/c22-21(23,24)17-7-2-1-4-14(17)11-27-12-15(10-18(27)28)26-20(29)16-6-3-5-13-8-9-25-19(13)16;13-12(14,15)10-4-2-1-3-8(10)6-17-7-9(16)5-11(17)18;11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-9,15,25H,10-12H2,(H,26,29);1-4,9H,5-7,16H2;1-5,10H,(H,11,12).
What are the key properties of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide?
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide has a molecular weight of 820.79 g/mol, XLogP of 7.35, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1H-indole-7-carboxylic acid;N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 167665151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).