(2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C126H98Br2F3N23O12S — CID 161026564

About (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

(2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 161026564) has the molecular formula C126H98Br2F3N23O12S and a molecular weight of 2375.19 g/mol. Its IUPAC name is (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
• PubChem CID: 161026564
• Molecular Formula: C126H98Br2F3N23O12S
• Molecular Weight: 2375.19 g/mol
• Exact Mass: 2371.58
• IUPAC Name: (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
• SMILES: 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(Nc1nc2cccnc2s1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.[H]/N=C/c1c(N)ncnc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
• InChI: InChI=1S/C22H16N4O2S.2C21H16BrN3O2.C21H18N6O2.C21H17N3O2.C20H15F3N4O2/c27-19(25-22-24-17-11-6-12-23-20(17)29-22)18(14-7-2-1-3-8-14)26-13-15-9-4-5-10-16(15)21(26)28;2*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;22-10-16-18(23)24-12-25-19(16)26-20(28)17(13-6-2-1-3-7-13)27-11-14-8-4-5-9-15(14)21(27)29;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;21-20(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/h1-12,18H,13H2,(H,24,25,27);2*1-12,19H,13H2,(H,23,24,26);1-10,12,17,22H,11H2,(H3,23,24,25,26,28);1-13,19H,14H2,(H,22,23,25);1-10,17H,11H2,(H2,24,25,26,28)/b;;;22-10+;;/t18-;2*19-;17-;19-;17-/m110111/s1
• InChIKey: TZBBHSGPFWMCOC-HYGUZFTRSA-N
• XLogP: 21.96
• TPSA: 465.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2375.19
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The IUPAC name of (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 161026564) is (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(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-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(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(Nc1nc2cccnc2s1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.[H]/N=C/c1c(N)ncnc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.

What is the InChIKey of (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

The InChIKey is TZBBHSGPFWMCOC-HYGUZFTRSA-N. The full InChI is InChI=1S/C22H16N4O2S.2C21H16BrN3O2.C21H18N6O2.C21H17N3O2.C20H15F3N4O2/c27-19(25-22-24-17-11-6-12-23-20(17)29-22)18(14-7-2-1-3-8-14)26-13-15-9-4-5-10-16(15)21(26)28;2*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;22-10-16-18(23)24-12-25-19(16)26-20(28)17(13-6-2-1-3-7-13)27-11-14-8-4-5-9-15(14)21(27)29;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;21-20(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/h1-12,18H,13H2,(H,24,25,27);2*1-12,19H,13H2,(H,23,24,26);1-10,12,17,22H,11H2,(H3,23,24,25,26,28);1-13,19H,14H2,(H,22,23,25);1-10,17H,11H2,(H2,24,25,26,28)/b;;;22-10+;;/t18-;2*19-;17-;19-;17-/m110111/s1.

What are the key properties of (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?

(2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 2375.19 g/mol, XLogP of 21.96, 25 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(6-amino-5-methanimidoylpyrimidin-4-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-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 161026564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).