(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C17H18F3N3O3 — CID 167229521

IUPAC(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-21-15(24)13-6-9(17(18,19)20)8-23(13)16(25)12-7-10-11(22-12)4-3-5-14(10)26-2/h3-5,7,9,13,22H,6,8H2,1-2H3,(H,21,24)/t9-,13+/m1/s1
InChIKeyUMOLLCARASXQPU-RNCFNFMXSA-N
MW369.34 g/mol
LogP2.32
Rot. Bonds3

About (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide

(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 167229521) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID167229521
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-21-15(24)13-6-9(17(18,19)20)8-23(13)16(25)12-7-10-11(22-12)4-3-5-14(10)26-2/h3-5,7,9,13,22H,6,8H2,1-2H3,(H,21,24)/t9-,13+/m1/s1
InChIKeyUMOLLCARASXQPU-RNCFNFMXSA-N
XLogP2.32
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604
(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-(2-fluoropropan-2-yl)-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166840231
(2S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 170025104
(4S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166893768
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
(2S,4S)-4-tert-butyl-N-[(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 163861462
(2S,4R)-4-(1,1-difluoropropyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166936389
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-fluoro-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 171530313
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(2S,4S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-phenylpyrrolidine-2-carboxamide
CID 162396189
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-ethoxy-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 162478947
(2S,4S)-N-[(2S)-1-hydroxy-3-[(1S)-2-oxocyclopentyl]propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-phenylpyrrolidine-2-carboxamide
CID 163931512

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 167229521) is (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](C(F)(F)F)CN1C(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is UMOLLCARASXQPU-RNCFNFMXSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-21-15(24)13-6-9(17(18,19)20)8-23(13)16(25)12-7-10-11(22-12)4-3-5-14(10)26-2/h3-5,7,9,13,22H,6,8H2,1-2H3,(H,21,24)/t9-,13+/m1/s1.
What are the key properties of (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-N-methyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167229521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).