5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one

C33H26F2N4O3 — CID 142375641

About 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one

5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one (PubChem CID 142375641) has the molecular formula C33H26F2N4O3 and a molecular weight of 564.59 g/mol. Its IUPAC name is 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one
• PubChem CID: 142375641
• Molecular Formula: C33H26F2N4O3
• Molecular Weight: 564.59 g/mol
• Exact Mass: 564.20
• IUPAC Name: 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one
• SMILES: COc1ccc(CN2C(=O)C3(CCC3)c3cc(-c4ccnn4-c4ccc(F)cc4F)cc(Oc4ccccn4)c32)cc1
• InChI: InChI=1S/C33H26F2N4O3/c1-41-24-9-6-21(7-10-24)20-38-31-25(33(32(38)40)13-4-14-33)17-22(18-29(31)42-30-5-2-3-15-36-30)27-12-16-37-39(27)28-11-8-23(34)19-26(28)35/h2-3,5-12,15-19H,4,13-14,20H2,1H3
• InChIKey: CNWKIOFAWFSFKU-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.59
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one?

The IUPAC name of 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one (CID 142375641) is 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one.

What is the SMILES notation for 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one?

The canonical SMILES for 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one is COc1ccc(CN2C(=O)C3(CCC3)c3cc(-c4ccnn4-c4ccc(F)cc4F)cc(Oc4ccccn4)c32)cc1.

What is the InChIKey of 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one?

The InChIKey is CNWKIOFAWFSFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F2N4O3/c1-41-24-9-6-21(7-10-24)20-38-31-25(33(32(38)40)13-4-14-33)17-22(18-29(31)42-30-5-2-3-15-36-30)27-12-16-37-39(27)28-11-8-23(34)19-26(28)35/h2-3,5-12,15-19H,4,13-14,20H2,1H3.

What are the key properties of 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one?

5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one has a molecular weight of 564.59 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1'-[(4-methoxyphenyl)methyl]-7'-pyridin-2-yloxyspiro[cyclobutane-1,3'-indole]-2'-one is sourced from PubChem (CID 142375641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).