3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C94H88BBr3Cl4F8N20O14S2 — CID 157175743

About 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 157175743) has the molecular formula C94H88BBr3Cl4F8N20O14S2 and a molecular weight of 2330.32 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 157175743
• Molecular Formula: C94H88BBr3Cl4F8N20O14S2
• Molecular Weight: 2330.32 g/mol
• Exact Mass: 2324.25
• IUPAC Name: 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: C1CCOC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.C[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21.C[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.C[C@@H]1CSc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.C[C@H](CO)Nc1c(N)cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1Br.S=C(n1ccnc1)n1ccnc1
• InChI: InChI=1S/C21H16ClF2N5O3.C18H13BrClF2N3O3.C18H13BrClF2N3O2S.C17H17BrClF2N3O3.C9H15BN2O2.C7H6N4S.C4H8O/c1-11-10-31-20-27-17-9-12(8-15(18(17)29(11)20)16-6-7-25-28-16)19(30)26-13-2-4-14(5-3-13)32-21(22,23)24;1-9-8-27-17-24-14-7-10(6-13(19)15(14)25(9)17)16(26)23-11-2-4-12(5-3-11)28-18(20,21)22;1-9-8-28-17-24-14-7-10(6-13(19)15(14)25(9)17)16(26)23-11-2-4-12(5-3-11)27-18(20,21)22;1-9(8-25)23-15-13(18)6-10(7-14(15)22)16(26)24-11-2-4-12(5-3-11)27-17(19,20)21;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-4-5-3-1/h2-9,11H,10H2,1H3,(H,25,28)(H,26,30);2*2-7,9H,8H2,1H3,(H,23,26);2-7,9,23,25H,8,22H2,1H3,(H,24,26);5-6H,1-4H3,(H,11,12);1-6H;1-4H2/t11-;3*9-;;;/m1111.../s1
• InChIKey: ANZCYFYADWICCK-QQHIZSOESA-N
• XLogP: 22.37
• TPSA: 404.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.32
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 157175743) is 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is C1CCOC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.C[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4ccn[nH]4)c3n21.C[C@@H]1COc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.C[C@@H]1CSc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.C[C@H](CO)Nc1c(N)cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1Br.S=C(n1ccnc1)n1ccnc1.

What is the InChIKey of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is ANZCYFYADWICCK-QQHIZSOESA-N. The full InChI is InChI=1S/C21H16ClF2N5O3.C18H13BrClF2N3O3.C18H13BrClF2N3O2S.C17H17BrClF2N3O3.C9H15BN2O2.C7H6N4S.C4H8O/c1-11-10-31-20-27-17-9-12(8-15(18(17)29(11)20)16-6-7-25-28-16)19(30)26-13-2-4-14(5-3-13)32-21(22,23)24;1-9-8-27-17-24-14-7-10(6-13(19)15(14)25(9)17)16(26)23-11-2-4-12(5-3-11)28-18(20,21)22;1-9-8-28-17-24-14-7-10(6-13(19)15(14)25(9)17)16(26)23-11-2-4-12(5-3-11)27-18(20,21)22;1-9(8-25)23-15-13(18)6-10(7-14(15)22)16(26)24-11-2-4-12(5-3-11)27-17(19,20)21;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-4-5-3-1/h2-9,11H,10H2,1H3,(H,25,28)(H,26,30);2*2-7,9H,8H2,1H3,(H,23,26);2-7,9,23,25H,8,22H2,1H3,(H,24,26);5-6H,1-4H3,(H,11,12);1-6H;1-4H2/t11-;3*9-;;;/m1111.../s1.

What are the key properties of 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2330.32 g/mol, XLogP of 22.37, 21 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]benzamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-8-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-6-carboxamide;(1R)-N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-8-(1H-pyrazol-5-yl)-1,2-dihydro-[1,3]oxazolo[3,2-a]benzimidazole-6-carboxamide;di(imidazol-1-yl)methanethione;oxolane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 157175743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).