1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone

C35H34N4O3 — CID 147284863

About 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone

1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone (PubChem CID 147284863) has the molecular formula C35H34N4O3 and a molecular weight of 558.68 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone
• PubChem CID: 147284863
• Molecular Formula: C35H34N4O3
• Molecular Weight: 558.68 g/mol
• Exact Mass: 558.26
• IUPAC Name: 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone
• SMILES: CN(C)c1ccc(C(=O)Cc2ccc(-n3ncc4cc(CC(=O)c5ccc(N6CCOCC6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C35H34N4O3/c1-37(2)30-12-6-27(7-13-30)34(40)22-25-3-10-32(11-4-25)39-33-16-5-26(21-29(33)24-36-39)23-35(41)28-8-14-31(15-9-28)38-17-19-42-20-18-38/h3-16,21,24H,17-20,22-23H2,1-2H3
• InChIKey: CTANGOUUCPAEKB-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 67.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.68
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone?

The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone (CID 147284863) is 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone is CN(C)c1ccc(C(=O)Cc2ccc(-n3ncc4cc(CC(=O)c5ccc(N6CCOCC6)cc5)ccc43)cc2)cc1.

What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone?

The InChIKey is CTANGOUUCPAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O3/c1-37(2)30-12-6-27(7-13-30)34(40)22-25-3-10-32(11-4-25)39-33-16-5-26(21-29(33)24-36-39)23-35(41)28-8-14-31(15-9-28)38-17-19-42-20-18-38/h3-16,21,24H,17-20,22-23H2,1-2H3.

What are the key properties of 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone?

1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone has a molecular weight of 558.68 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-2-[4-[5-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]indazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 147284863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).