1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C25H27FN4O3 — CID 17204464

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C25H27FN4O3/c1-15(2)28-25(33)19-5-3-4-6-22(19)29-24(32)17-11-23(31)30(14-17)10-9-16-13-27-21-8-7-18(26)12-20(16)21/h3-8,12-13,15,17,27H,9-11,14H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyMIVVFUIUALTCNY-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 17204464) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID17204464
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C25H27FN4O3/c1-15(2)28-25(33)19-5-3-4-6-22(19)29-24(32)17-11-23(31)30(14-17)10-9-16-13-27-21-8-7-18(26)12-20(16)21/h3-8,12-13,15,17,27H,9-11,14H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyMIVVFUIUALTCNY-UHFFFAOYSA-N
XLogP3.47
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 42562425
N-[2-(cyclohexylcarbamoyl)phenyl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204425
(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 17204464) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MIVVFUIUALTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-15(2)28-25(33)19-5-3-4-6-22(19)29-24(32)17-11-23(31)30(14-17)10-9-16-13-27-21-8-7-18(26)12-20(16)21/h3-8,12-13,15,17,27H,9-11,14H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 17204464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).