(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide

C124H96BrN25O12S3 — CID 157475054

IUPAC(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(Br)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc2cccnc2s1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncnc2[nH]ncc12)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H18N4O2S.C22H16N4O2S.C21H16N6O2.C19H14BrN3O2S.2C19H16N4O2/c29-22(27-24-26-20(15-31-24)16-10-12-25-13-11-16)21(17-6-2-1-3-7-17)28-14-18-8-4-5-9-19(18)23(28)30;27-19(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;28-20(25-18-16-10-24-26-19(16)23-12-22-18)17(13-6-2-1-3-7-13)27-11-14-8-4-5-9-15(14)21(27)29;20-15-11-26-19(21-15)22-17(24)16(12-6-2-1-3-7-12)23-10-13-8-4-5-9-14(13)18(23)25;2*24-17(22-19-20-10-11-21-19)16(13-6-2-1-3-7-13)23-12-14-8-4-5-9-15(14)18(23)25/h1-13,15,21H,14H2,(H,26,27,29);1-12,18H,13H2,(H,24,25,27);1-10,12,17H,11H2,(H2,22,23,24,25,26,28);1-9,11,16H,10H2,(H,21,22,24);2*1-11,16H,12H2,(H2,20,21,22,24)/t21-;18-;17-;3*16-/m111110/s1
InChIKeyBVMJLWYDCNXDGJ-CFBQOYNRSA-N
MW2304.40 g/mol
LogP20.99
Rot. Bonds25

About (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide

(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 157475054) has the molecular formula C124H96BrN25O12S3 and a molecular weight of 2304.40 g/mol. Its IUPAC name is (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID157475054
Molecular FormulaC124H96BrN25O12S3
Molecular Weight2304.40 g/mol
Exact Mass2301.60
IUPAC Name(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(Br)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc2cccnc2s1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncnc2[nH]ncc12)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H18N4O2S.C22H16N4O2S.C21H16N6O2.C19H14BrN3O2S.2C19H16N4O2/c29-22(27-24-26-20(15-31-24)16-10-12-25-13-11-16)21(17-6-2-1-3-7-17)28-14-18-8-4-5-9-19(18)23(28)30;27-19(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;28-20(25-18-16-10-24-26-19(16)23-12-22-18)17(13-6-2-1-3-7-13)27-11-14-8-4-5-9-15(14)21(27)29;20-15-11-26-19(21-15)22-17(24)16(12-6-2-1-3-7-12)23-10-13-8-4-5-9-14(13)18(23)25;2*24-17(22-19-20-10-11-21-19)16(13-6-2-1-3-7-13)23-12-14-8-4-5-9-15(14)18(23)25/h1-13,15,21H,14H2,(H,26,27,29);1-12,18H,13H2,(H,24,25,27);1-10,12,17H,11H2,(H2,22,23,24,25,26,28);1-9,11,16H,10H2,(H,21,22,24);2*1-11,16H,12H2,(H2,20,21,22,24)/t21-;18-;17-;3*16-/m111110/s1
InChIKeyBVMJLWYDCNXDGJ-CFBQOYNRSA-N
XLogP20.99
TPSA472.73 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.40
LogP ≤ 520.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide with MolForge

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Related Compounds

3,5-dimethyl-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazine-2-carboxamide;2-methyl-N-[(1S)-1-[8-[2-(4-methyl-1,3-thiazol-5-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methyl-N-[(1S)-1-[8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158946876
(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
(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)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-[4-(4-morpholin-4-ylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 161962363
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanimine
CID 162287467
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287555
2-[5-[4-[4-amino-1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 171579150
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-4-fluoropiperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 171579152
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 171579157
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 177118049
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(1H-imidazol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 177118073
[4-[12-Fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 87113537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide (CID 157475054) is (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide is O=C(Nc1nc(-c2ccncc2)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc(Br)cs1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1nc2cccnc2s1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncc[nH]1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O.O=C(Nc1ncnc2[nH]ncc12)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is BVMJLWYDCNXDGJ-CFBQOYNRSA-N. The full InChI is InChI=1S/C24H18N4O2S.C22H16N4O2S.C21H16N6O2.C19H14BrN3O2S.2C19H16N4O2/c29-22(27-24-26-20(15-31-24)16-10-12-25-13-11-16)21(17-6-2-1-3-7-17)28-14-18-8-4-5-9-19(18)23(28)30;27-19(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;28-20(25-18-16-10-24-26-19(16)23-12-22-18)17(13-6-2-1-3-7-13)27-11-14-8-4-5-9-15(14)21(27)29;20-15-11-26-19(21-15)22-17(24)16(12-6-2-1-3-7-12)23-10-13-8-4-5-9-14(13)18(23)25;2*24-17(22-19-20-10-11-21-19)16(13-6-2-1-3-7-13)23-12-14-8-4-5-9-15(14)18(23)25/h1-13,15,21H,14H2,(H,26,27,29);1-12,18H,13H2,(H,24,25,27);1-10,12,17H,11H2,(H2,22,23,24,25,26,28);1-9,11,16H,10H2,(H,21,22,24);2*1-11,16H,12H2,(H2,20,21,22,24)/t21-;18-;17-;3*16-/m111110/s1.
What are the key properties of (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide?
(2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 2304.40 g/mol, XLogP of 20.99, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-1,3-thiazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2S)-N-(1H-imidazol-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 157475054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).