N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide

C23H21F3N4O3 — CID 29131212

IUPACN-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)17-2-1-3-18(12-17)30-13-16(11-20(30)31)22(33)29-9-8-28-21(32)15-5-4-14-6-7-27-19(14)10-15/h1-7,10,12,16,27H,8-9,11,13H2,(H,28,32)(H,29,33)/t16-/m1/s1
InChIKeySOQBLSDMSUGVBN-MRXNPFEDSA-N
MW458.44 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide

N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide (PubChem CID 29131212) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
PubChem CID29131212
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)17-2-1-3-18(12-17)30-13-16(11-20(30)31)22(33)29-9-8-28-21(32)15-5-4-14-6-7-27-19(14)10-15/h1-7,10,12,16,27H,8-9,11,13H2,(H,28,32)(H,29,33)/t16-/m1/s1
InChIKeySOQBLSDMSUGVBN-MRXNPFEDSA-N
XLogP3.09
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide
CID 42651319
N-[2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29136194
N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29133184
N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
CID 42651225
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188623
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
N-[2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-4-carboxamide
CID 29140807
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55652394
N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904734
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
(3S)-N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29134857

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide (CID 29131212) is N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide is O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide?
The InChIKey is SOQBLSDMSUGVBN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c24-23(25,26)17-2-1-3-18(12-17)30-13-16(11-20(30)31)22(33)29-9-8-28-21(32)15-5-4-14-6-7-27-19(14)10-15/h1-7,10,12,16,27H,8-9,11,13H2,(H,28,32)(H,29,33)/t16-/m1/s1.
What are the key properties of N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide?
N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 29131212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).