1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one

C30H33N3O3 — CID 147125187

About 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one

1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one (PubChem CID 147125187) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
• PubChem CID: 147125187
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one
• SMILES: COc1ccc(CC(=O)Cc2ccc3[nH]nc(-c4ccc(OC5CCN(C)CC5)cc4)c3c2)c(C)c1
• InChI: InChI=1S/C30H33N3O3/c1-20-16-27(35-3)10-7-23(20)19-24(34)17-21-4-11-29-28(18-21)30(32-31-29)22-5-8-25(9-6-22)36-26-12-14-33(2)15-13-26/h4-11,16,18,26H,12-15,17,19H2,1-3H3,(H,31,32)
• InChIKey: BPDHEVOOSYPNDX-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 67.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one?

The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one (CID 147125187) is 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one.

What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one?

The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one is COc1ccc(CC(=O)Cc2ccc3[nH]nc(-c4ccc(OC5CCN(C)CC5)cc4)c3c2)c(C)c1.

What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one?

The InChIKey is BPDHEVOOSYPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-20-16-27(35-3)10-7-23(20)19-24(34)17-21-4-11-29-28(18-21)30(32-31-29)22-5-8-25(9-6-22)36-26-12-14-33(2)15-13-26/h4-11,16,18,26H,12-15,17,19H2,1-3H3,(H,31,32).

What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one?

1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one has a molecular weight of 483.61 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxy-2-methylphenyl)-3-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazol-5-yl]propan-2-one is sourced from PubChem (CID 147125187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).