2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C31H30N4O3 — CID 91522224

About 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one

2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 91522224) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

• Compound Name: 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
• PubChem CID: 91522224
• Molecular Formula: C31H30N4O3
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.23
• IUPAC Name: 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
• SMILES: O=C1Nc2ccccc2C12CC2c1ccc2c(/C=C/c3ccc(OCCN4CCOCC4)cc3)n[nH]c2c1
• InChI: InChI=1S/C31H30N4O3/c36-30-31(25-3-1-2-4-28(25)32-30)20-26(31)22-8-11-24-27(33-34-29(24)19-22)12-7-21-5-9-23(10-6-21)38-18-15-35-13-16-37-17-14-35/h1-12,19,26H,13-18,20H2,(H,32,36)(H,33,34)/b12-7+
• InChIKey: OEUGGXOGDAWLOY-KPKJPENVSA-N
• XLogP: 4.82
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?

The IUPAC name of 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 91522224) is 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

What is the SMILES notation for 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?

The canonical SMILES for 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccccc2C12CC2c1ccc2c(/C=C/c3ccc(OCCN4CCOCC4)cc3)n[nH]c2c1.

What is the InChIKey of 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?

The InChIKey is OEUGGXOGDAWLOY-KPKJPENVSA-N. The full InChI is InChI=1S/C31H30N4O3/c36-30-31(25-3-1-2-4-28(25)32-30)20-26(31)22-8-11-24-27(33-34-29(24)19-22)12-7-21-5-9-23(10-6-21)38-18-15-35-13-16-37-17-14-35/h1-12,19,26H,13-18,20H2,(H,32,36)(H,33,34)/b12-7+.

What are the key properties of 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one?

2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 506.61 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 91522224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).