(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C103H79Br3F3N17O10 — CID 159332848

IUPAC(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESO=C(Nc1cc(Br)ccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(Br)ccn1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cnc(Br)cn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/2C21H16BrN3O2.C21H17N3O2.C20H15BrN4O2.C20H15F3N4O2/c2*22-16-10-11-23-18(12-16)24-20(26)19(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)21(25)27;25-20(23-18-12-6-7-13-22-18)19(15-8-2-1-3-9-15)24-14-16-10-4-5-11-17(16)21(24)26;21-16-10-23-17(11-22-16)24-19(26)18(13-6-2-1-3-7-13)25-12-14-8-4-5-9-15(14)20(25)27;21-20(22,23)15-10-16(26-25-15)24-18(28)17(12-6-2-1-3-7-12)27-11-13-8-4-5-9-14(13)19(27)29/h2*1-12,19H,13H2,(H,23,24,26);1-13,19H,14H2,(H,22,23,25);1-11,18H,12H2,(H,23,24,26);1-10,17H,11H2,(H2,24,25,26,28)/t3*19-;18-;17-/m10111/s1
InChIKeyLFEASUDQKCZLNC-FGGNCROGSA-N
MW2011.58 g/mol
LogP19.12
Rot. Bonds20

About (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 159332848) has the molecular formula C103H79Br3F3N17O10 and a molecular weight of 2011.58 g/mol. Its IUPAC name is (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID159332848
Molecular FormulaC103H79Br3F3N17O10
Molecular Weight2011.58 g/mol
Exact Mass2007.37
IUPAC Name(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESO=C(Nc1cc(Br)ccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(Br)ccn1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cnc(Br)cn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/2C21H16BrN3O2.C21H17N3O2.C20H15BrN4O2.C20H15F3N4O2/c2*22-16-10-11-23-18(12-16)24-20(26)19(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)21(25)27;25-20(23-18-12-6-7-13-22-18)19(15-8-2-1-3-9-15)24-14-16-10-4-5-11-17(16)21(24)26;21-16-10-23-17(11-22-16)24-19(26)18(13-6-2-1-3-7-13)25-12-14-8-4-5-9-15(14)20(25)27;21-20(22,23)15-10-16(26-25-15)24-18(28)17(12-6-2-1-3-7-12)27-11-13-8-4-5-9-14(13)19(27)29/h2*1-12,19H,13H2,(H,23,24,26);1-13,19H,14H2,(H,22,23,25);1-11,18H,12H2,(H,23,24,26);1-10,17H,11H2,(H2,24,25,26,28)/t3*19-;18-;17-/m10111/s1
InChIKeyLFEASUDQKCZLNC-FGGNCROGSA-N
XLogP19.12
TPSA340.18 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002011.58
LogP ≤ 519.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide 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 (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 159332848) is (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is O=C(Nc1cc(Br)ccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(Br)ccn1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cc(C(F)(F)F)[nH]n1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ccccn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1cnc(Br)cn1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is LFEASUDQKCZLNC-FGGNCROGSA-N. The full InChI is InChI=1S/2C21H16BrN3O2.C21H17N3O2.C20H15BrN4O2.C20H15F3N4O2/c2*22-16-10-11-23-18(12-16)24-20(26)19(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)21(25)27;25-20(23-18-12-6-7-13-22-18)19(15-8-2-1-3-9-15)24-14-16-10-4-5-11-17(16)21(24)26;21-16-10-23-17(11-22-16)24-19(26)18(13-6-2-1-3-7-13)25-12-14-8-4-5-9-15(14)20(25)27;21-20(22,23)15-10-16(26-25-15)24-18(28)17(12-6-2-1-3-7-12)27-11-13-8-4-5-9-14(13)19(27)29/h2*1-12,19H,13H2,(H,23,24,26);1-13,19H,14H2,(H,22,23,25);1-11,18H,12H2,(H,23,24,26);1-10,17H,11H2,(H2,24,25,26,28)/t3*19-;18-;17-/m10111/s1.
What are the key properties of (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
(2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 2011.58 g/mol, XLogP of 19.12, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromopyrazin-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(4-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-pyridin-2-ylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 159332848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).