1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide

C121H105ClF5N21O14S5 — CID 159053545

About 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide

1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide (PubChem CID 159053545) has the molecular formula C121H105ClF5N21O14S5 and a molecular weight of 2368.08 g/mol. Its IUPAC name is 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide
• PubChem CID: 159053545
• Molecular Formula: C121H105ClF5N21O14S5
• Molecular Weight: 2368.08 g/mol
• Exact Mass: 2365.64
• IUPAC Name: 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide
• SMILES: COc1cc(C(=O)NO)cc2c1CN(c1nc(-c3cccc(Cl)c3)cs1)C2.COc1cc(C(=O)NO)cc2c1CN(c1nc(-c3sc4ccccc4c3C)cs1)C2.O=C(CO)c1ccc2c(c1F)CCN(c1ccnc(NCc3ccccc3)n1)C2.O=C(CO)c1ccc2c(c1F)CCN(c1nccc(NCc3ccccc3)n1)C2.O=C(NO)c1ccc2c(c1)CN(c1nc(-c3ccc(C(F)(F)F)cc3)cs1)C2.O=C(NO)c1ccc2c(c1)CN(c1nc(-c3cccnc3)cs1)C2
• InChI: InChI=1S/2C22H21FN4O2.C22H19N3O3S2.C19H16ClN3O3S.C19H14F3N3O2S.C17H14N4O2S/c23-21-17-9-11-27(13-16(17)6-7-18(21)19(29)14-28)20-8-10-24-22(26-20)25-12-15-4-2-1-3-5-15;23-21-17-9-11-27(13-16(17)6-7-18(21)19(29)14-28)22-24-10-8-20(26-22)25-12-15-4-2-1-3-5-15;1-12-15-5-3-4-6-19(15)30-20(12)17-11-29-22(23-17)25-9-14-7-13(21(26)24-27)8-18(28-2)16(14)10-25;1-26-17-7-12(18(24)22-25)5-13-8-23(9-15(13)17)19-21-16(10-27-19)11-3-2-4-14(20)6-11;20-19(21,22)15-5-3-11(4-6-15)16-10-28-18(23-16)25-8-13-2-1-12(17(26)24-27)7-14(13)9-25;22-16(20-23)11-3-4-13-8-21(9-14(13)6-11)17-19-15(10-24-17)12-2-1-5-18-7-12/h2*1-8,10,28H,9,11-14H2,(H,24,25,26);3-8,11,27H,9-10H2,1-2H3,(H,24,26);2-7,10,25H,8-9H2,1H3,(H,22,24);1-7,10,27H,8-9H2,(H,24,26);1-7,10,23H,8-9H2,(H,20,22)
• InChIKey: JXORBNVRVOZAOE-UHFFFAOYSA-N
• XLogP: 22.34
• TPSA: 449.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 26
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.08
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide?

The IUPAC name of 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide (CID 159053545) is 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide.

What is the SMILES notation for 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide?

The canonical SMILES for 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide is COc1cc(C(=O)NO)cc2c1CN(c1nc(-c3cccc(Cl)c3)cs1)C2.COc1cc(C(=O)NO)cc2c1CN(c1nc(-c3sc4ccccc4c3C)cs1)C2.O=C(CO)c1ccc2c(c1F)CCN(c1ccnc(NCc3ccccc3)n1)C2.O=C(CO)c1ccc2c(c1F)CCN(c1nccc(NCc3ccccc3)n1)C2.O=C(NO)c1ccc2c(c1)CN(c1nc(-c3ccc(C(F)(F)F)cc3)cs1)C2.O=C(NO)c1ccc2c(c1)CN(c1nc(-c3cccnc3)cs1)C2.

What is the InChIKey of 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide?

The InChIKey is JXORBNVRVOZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4O2.C22H19N3O3S2.C19H16ClN3O3S.C19H14F3N3O2S.C17H14N4O2S/c23-21-17-9-11-27(13-16(17)6-7-18(21)19(29)14-28)20-8-10-24-22(26-20)25-12-15-4-2-1-3-5-15;23-21-17-9-11-27(13-16(17)6-7-18(21)19(29)14-28)22-24-10-8-20(26-22)25-12-15-4-2-1-3-5-15;1-12-15-5-3-4-6-19(15)30-20(12)17-11-29-22(23-17)25-9-14-7-13(21(26)24-27)8-18(28-2)16(14)10-25;1-26-17-7-12(18(24)22-25)5-13-8-23(9-15(13)17)19-21-16(10-27-19)11-3-2-4-14(20)6-11;20-19(21,22)15-5-3-11(4-6-15)16-10-28-18(23-16)25-8-13-2-1-12(17(26)24-27)7-14(13)9-25;22-16(20-23)11-3-4-13-8-21(9-14(13)6-11)17-19-15(10-24-17)12-2-1-5-18-7-12/h2*1-8,10,28H,9,11-14H2,(H,24,25,26);3-8,11,27H,9-10H2,1-2H3,(H,24,26);2-7,10,25H,8-9H2,1H3,(H,22,24);1-7,10,27H,8-9H2,(H,24,26);1-7,10,23H,8-9H2,(H,20,22).

What are the key properties of 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide?

1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 2368.08 g/mol, XLogP of 22.34, 26 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(benzylamino)pyrimidin-4-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;1-[2-[4-(benzylamino)pyrimidin-2-yl]-5-fluoro-3,4-dihydro-1H-isoquinolin-6-yl]-2-hydroxyethanone;2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-7-methoxy-2-[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-dihydroisoindole-5-carboxamide;N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 159053545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).