N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

C32H33F7N4O2 — CID 174511526

IUPACN-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(=O)[C@@H](N)[C@@H]1CCCN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H33F7N4O2/c1-17-11-22(33)8-9-23(17)24-15-27(43-10-6-7-25(43)28(40)18(2)44)41-16-26(24)42(5)29(45)30(3,4)19-12-20(31(34,35)36)14-21(13-19)32(37,38)39/h8-9,11-16,25,28H,6-7,10,40H2,1-5H3/t25-,28+/m0/s1
InChIKeyQYZVADQDGJKNDU-LBNVMWSVSA-N
MW638.63 g/mol
LogP7.06
Rot. Bonds7

About N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 174511526) has the molecular formula C32H33F7N4O2 and a molecular weight of 638.63 g/mol. Its IUPAC name is N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
PubChem CID174511526
Molecular FormulaC32H33F7N4O2
Molecular Weight638.63 g/mol
Exact Mass638.25
IUPAC NameN-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
SMILESCC(=O)[C@@H](N)[C@@H]1CCCN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H33F7N4O2/c1-17-11-22(33)8-9-23(17)24-15-27(43-10-6-7-25(43)28(40)18(2)44)41-16-26(24)42(5)29(45)30(3,4)19-12-20(31(34,35)36)14-21(13-19)32(37,38)39/h8-9,11-16,25,28H,6-7,10,40H2,1-5H3/t25-,28+/m0/s1
InChIKeyQYZVADQDGJKNDU-LBNVMWSVSA-N
XLogP7.06
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.63
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide with MolForge

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Related Compounds

[1-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 87304236
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87306136
N-[6-(4-aminopiperidin-1-yl)-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 86597679
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 86597702
N-[6-[(3R,8aR)-3-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide;hydrochloride
CID 86642510
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(1-oxo-4,5,7,8,9,9a-hexahydro-3H-pyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 58375767
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride
CID 18403358
2-(3,5-dichlorophenyl)-N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 67195413
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-4-oxopyrrolidin-1-yl]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304884
(2R,5R)-5-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-methylpyrrolidine-2-carboxylic acid
CID 87242737
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(2,3-dioxothiomorpholin-4-yl)-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 87992932
N-[6-[(7S,9aS)-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
CID 59215891

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (CID 174511526) is N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is CC(=O)[C@@H](N)[C@@H]1CCCN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is QYZVADQDGJKNDU-LBNVMWSVSA-N. The full InChI is InChI=1S/C32H33F7N4O2/c1-17-11-22(33)8-9-23(17)24-15-27(43-10-6-7-25(43)28(40)18(2)44)41-16-26(24)42(5)29(45)30(3,4)19-12-20(31(34,35)36)14-21(13-19)32(37,38)39/h8-9,11-16,25,28H,6-7,10,40H2,1-5H3/t25-,28+/m0/s1.
What are the key properties of N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 638.63 g/mol, XLogP of 7.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2-[(1S)-1-amino-2-oxopropyl]pyrrolidin-1-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 174511526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).