1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole

C78H73Cl3F3I4N23O7 — CID 158868991

About 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole

1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole (PubChem CID 158868991) has the molecular formula C78H73Cl3F3I4N23O7 and a molecular weight of 2115.56 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole.

Molecular Properties

• Compound Name: 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole
• PubChem CID: 158868991
• Molecular Formula: C78H73Cl3F3I4N23O7
• Molecular Weight: 2115.56 g/mol
• Exact Mass: 2113.13
• IUPAC Name: 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole
• SMILES: CC(=O)Cn1nc(I)c2cccnc21.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)CC2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)c(F)cc1Cl.Cc1cc(N2CCNCC2)c(F)cc1Cl.Ic1[nH]nc2ncccc12.O=C(O)Cn1nc(I)c2cccnc21.c1cocn1
• InChI: InChI=1S/C22H20ClFN6O2.C19H18ClFIN5O.C11H14ClFN2.C9H8IN3O.C8H6IN3O2.C6H4IN3.C3H3NO/c1-14-11-18(17(24)12-16(14)23)28-6-8-29(9-7-28)19(31)13-30-21-15(3-2-4-25-21)20(27-30)22-26-5-10-32-22;1-12-9-16(15(21)10-14(12)20)25-5-7-26(8-6-25)17(28)11-27-19-13(18(22)24-27)3-2-4-23-19;1-8-6-11(10(13)7-9(8)12)15-4-2-14-3-5-15;1-6(14)5-13-9-7(8(10)12-13)3-2-4-11-9;9-7-5-2-1-3-10-8(5)12(11-7)4-6(13)14;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-3-4-1/h2-5,10-12H,6-9,13H2,1H3;2-4,9-10H,5-8,11H2,1H3;6-7,14H,2-5H2,1H3;2-4H,5H2,1H3;1-3H,4H2,(H,13,14);1-3H,(H,8,9,10);1-3H
• InChIKey: JBPKIPXUMIJKCF-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 333.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.56
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole?

The IUPAC name of 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole (CID 158868991) is 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole.

What is the SMILES notation for 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole?

The canonical SMILES for 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole is CC(=O)Cn1nc(I)c2cccnc21.Cc1cc(N2CCN(C(=O)Cn3nc(-c4ncco4)c4cccnc43)CC2)c(F)cc1Cl.Cc1cc(N2CCN(C(=O)Cn3nc(I)c4cccnc43)CC2)c(F)cc1Cl.Cc1cc(N2CCNCC2)c(F)cc1Cl.Ic1[nH]nc2ncccc12.O=C(O)Cn1nc(I)c2cccnc21.c1cocn1.

What is the InChIKey of 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole?

The InChIKey is JBPKIPXUMIJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O2.C19H18ClFIN5O.C11H14ClFN2.C9H8IN3O.C8H6IN3O2.C6H4IN3.C3H3NO/c1-14-11-18(17(24)12-16(14)23)28-6-8-29(9-7-28)19(31)13-30-21-15(3-2-4-25-21)20(27-30)22-26-5-10-32-22;1-12-9-16(15(21)10-14(12)20)25-5-7-26(8-6-25)17(28)11-27-19-13(18(22)24-27)3-2-4-23-19;1-8-6-11(10(13)7-9(8)12)15-4-2-14-3-5-15;1-6(14)5-13-9-7(8(10)12-13)3-2-4-11-9;9-7-5-2-1-3-10-8(5)12(11-7)4-6(13)14;7-5-4-2-1-3-8-6(4)10-9-5;1-2-5-3-4-1/h2-5,10-12H,6-9,13H2,1H3;2-4,9-10H,5-8,11H2,1H3;6-7,14H,2-5H2,1H3;2-4H,5H2,1H3;1-3H,4H2,(H,13,14);1-3H,(H,8,9,10);1-3H.

What are the key properties of 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole?

1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole has a molecular weight of 2115.56 g/mol, XLogP of 14.20, 12 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-2-fluoro-5-methylphenyl)piperazine;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-2-fluoro-5-methylphenyl)piperazin-1-yl]-2-[3-(1,3-oxazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;3-iodo-2H-pyrazolo[3,4-b]pyridine;2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)acetic acid;1-(3-iodopyrazolo[5,4-b]pyridin-1-yl)propan-2-one;1,3-oxazole is sourced from PubChem (CID 158868991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).