(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C55H67F6N11O6 — CID 159766532

IUPAC(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](C)C2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](N)C2=O)c1
InChIInChI=1S/C28H34F3N5O3.C27H33F3N6O3/c1-18-3-4-22(32-27(38)35-7-6-20(17-35)16-28(29,30)31)15-23(18)21-13-24(34-9-11-39-12-10-34)33-25(14-21)36-8-5-19(2)26(36)37;1-17-2-3-20(32-26(38)35-6-4-18(16-35)15-27(28,29)30)14-21(17)19-12-23(34-8-10-39-11-9-34)33-24(13-19)36-7-5-22(31)25(36)37/h3-4,13-15,19-20H,5-12,16-17H2,1-2H3,(H,32,38);2-3,12-14,18,22H,4-11,15-16,31H2,1H3,(H,32,38)/t19-,20-;18-,22-/m00/s1
InChIKeyNFOOWLLKQDONOR-OSMIEOHKSA-N
MW1092.20 g/mol
LogP8.84
Rot. Bonds10

About (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 159766532) has the molecular formula C55H67F6N11O6 and a molecular weight of 1092.20 g/mol. Its IUPAC name is (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID159766532
Molecular FormulaC55H67F6N11O6
Molecular Weight1092.20 g/mol
Exact Mass1091.52
IUPAC Name(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](C)C2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](N)C2=O)c1
InChIInChI=1S/C28H34F3N5O3.C27H33F3N6O3/c1-18-3-4-22(32-27(38)35-7-6-20(17-35)16-28(29,30)31)15-23(18)21-13-24(34-9-11-39-12-10-34)33-25(14-21)36-8-5-19(2)26(36)37;1-17-2-3-20(32-26(38)35-6-4-18(16-35)15-27(28,29)30)14-21(17)19-12-23(34-8-10-39-11-9-34)33-24(13-19)36-7-5-22(31)25(36)37/h3-4,13-15,19-20H,5-12,16-17H2,1-2H3,(H,32,38);2-3,12-14,18,22H,4-11,15-16,31H2,1H3,(H,32,38)/t19-,20-;18-,22-/m00/s1
InChIKeyNFOOWLLKQDONOR-OSMIEOHKSA-N
XLogP8.84
TPSA182.04 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.20
LogP ≤ 58.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 159766532) is (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](C)C2=O)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2CC[C@H](N)C2=O)c1.
What is the InChIKey of (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is NFOOWLLKQDONOR-OSMIEOHKSA-N. The full InChI is InChI=1S/C28H34F3N5O3.C27H33F3N6O3/c1-18-3-4-22(32-27(38)35-7-6-20(17-35)16-28(29,30)31)15-23(18)21-13-24(34-9-11-39-12-10-34)33-25(14-21)36-8-5-19(2)26(36)37;1-17-2-3-20(32-26(38)35-6-4-18(16-35)15-27(28,29)30)14-21(17)19-12-23(34-8-10-39-11-9-34)33-24(13-19)36-7-5-22(31)25(36)37/h3-4,13-15,19-20H,5-12,16-17H2,1-2H3,(H,32,38);2-3,12-14,18,22H,4-11,15-16,31H2,1H3,(H,32,38)/t19-,20-;18-,22-/m00/s1.
What are the key properties of (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1092.20 g/mol, XLogP of 8.84, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 159766532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).