7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one

C34H35FN4O3 — CID 135123274

About 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one

7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one (PubChem CID 135123274) has the molecular formula C34H35FN4O3 and a molecular weight of 566.68 g/mol. Its IUPAC name is 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one
• PubChem CID: 135123274
• Molecular Formula: C34H35FN4O3
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.27
• IUPAC Name: 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one
• SMILES: COc1ccc(CN2C(=O)C3(CCC3)c3cc(-c4ccnn4-c4ccccc4)cc(OC4CCN(C)CC4F)c32)cc1
• InChI: InChI=1S/C34H35FN4O3/c1-37-18-14-30(28(35)22-37)42-31-20-24(29-13-17-36-39(29)25-7-4-3-5-8-25)19-27-32(31)38(33(40)34(27)15-6-16-34)21-23-9-11-26(41-2)12-10-23/h3-5,7-13,17,19-20,28,30H,6,14-16,18,21-22H2,1-2H3
• InChIKey: RINIYQOCAGWNBB-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one?

The IUPAC name of 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one (CID 135123274) is 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one.

What is the SMILES notation for 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one?

The canonical SMILES for 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one is COc1ccc(CN2C(=O)C3(CCC3)c3cc(-c4ccnn4-c4ccccc4)cc(OC4CCN(C)CC4F)c32)cc1.

What is the InChIKey of 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one?

The InChIKey is RINIYQOCAGWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O3/c1-37-18-14-30(28(35)22-37)42-31-20-24(29-13-17-36-39(29)25-7-4-3-5-8-25)19-27-32(31)38(33(40)34(27)15-6-16-34)21-23-9-11-26(41-2)12-10-23/h3-5,7-13,17,19-20,28,30H,6,14-16,18,21-22H2,1-2H3.

What are the key properties of 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one?

7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one has a molecular weight of 566.68 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-(3-fluoro-1-methylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one is sourced from PubChem (CID 135123274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).