(3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine

C71H77Br2ClF3N13O13 — CID 172962456

About (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine

(3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine (PubChem CID 172962456) has the molecular formula C71H77Br2ClF3N13O13 and a molecular weight of 1572.73 g/mol. Its IUPAC name is (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine.

Molecular Properties

• Compound Name: (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine
• PubChem CID: 172962456
• Molecular Formula: C71H77Br2ClF3N13O13
• Molecular Weight: 1572.73 g/mol
• Exact Mass: 1569.38
• IUPAC Name: (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine
• SMILES: C#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CN1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(OCCBr)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(OCCBr)nc1
• InChI: InChI=1S/C25H27FN4O5.C21H19BrFN3O4.C12H11FN2O2.C8H8BrClN2O2.C5H12N2/c1-31-12-13-34-23-16-22-19(14-20(23)26)25(28-27-22)24-15-21(29-35-24)17-2-4-18(5-3-17)33-11-8-30-6-9-32-10-7-30;1-27-8-9-29-19-12-18-15(10-16(19)23)21(25-24-18)20-11-17(26-30-20)13-2-4-14(5-3-13)28-7-6-22;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;9-3-4-14-7-2-1-6(5-11-7)8(10)12-13;1-7-4-2-6-3-5-7/h2-5,14-16H,6-13H2,1H3,(H,27,28);2-5,10-12H,6-9H2,1H3,(H,24,25);1,6-7H,4-5H2,2H3,(H,14,15);1-2,5,13H,3-4H2;6H,2-5H2,1H3/b;;;12-8-
• InChIKey: VZUPYQQJUTUQKK-JCHNZCHKSA-N
• XLogP: 12.04
• TPSA: 294.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.73
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine?

The IUPAC name of (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine (CID 172962456) is (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine.

What is the SMILES notation for (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine?

The canonical SMILES for (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine is C#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CN1CCNCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(OCCBr)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(OCCN5CCOCC5)cc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(OCCBr)nc1.

What is the InChIKey of (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine?

The InChIKey is VZUPYQQJUTUQKK-JCHNZCHKSA-N. The full InChI is InChI=1S/C25H27FN4O5.C21H19BrFN3O4.C12H11FN2O2.C8H8BrClN2O2.C5H12N2/c1-31-12-13-34-23-16-22-19(14-20(23)26)25(28-27-22)24-15-21(29-35-24)17-2-4-18(5-3-17)33-11-8-30-6-9-32-10-7-30;1-27-8-9-29-19-12-18-15(10-16(19)23)21(25-24-18)20-11-17(26-30-20)13-2-4-14(5-3-13)28-7-6-22;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;9-3-4-14-7-2-1-6(5-11-7)8(10)12-13;1-7-4-2-6-3-5-7/h2-5,14-16H,6-13H2,1H3,(H,27,28);2-5,10-12H,6-9H2,1H3,(H,24,25);1,6-7H,4-5H2,2H3,(H,14,15);1-2,5,13H,3-4H2;6H,2-5H2,1H3/b;;;12-8-;.

What are the key properties of (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine?

(3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine has a molecular weight of 1572.73 g/mol, XLogP of 12.04, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-6-(2-bromoethoxy)-N-hydroxypyridine-3-carboximidoyl chloride;3-[4-(2-bromoethoxy)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;4-[2-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenoxy]ethyl]morpholine;1-methylpiperazine is sourced from PubChem (CID 172962456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).