LNP023

Chemical Information
Iptacopan is a member of the class of indoles that is 1H-indole substituted by [(2S,4S)-2-(4-carboxyphenyl)-4-ethoxypiperidin-1-yl]methyl, methoxy, and methyl groups at positions 4, 5, and 6, respectively. It is a potent inhibitor of complement factor B (IC50 = 10nM) with potential immunomodulatory activity. It has a role as a complement factor B inhibitor and an immunomodulator. It is a member of benzoic acids, a member of indoles, a monocarboxylic acid, an ether, a member of piperidines, a diether and a tertiary amino compound. It is a conjugate base of an iptacopan(1+).
| CAS Number | 1644670-37-0 |
| PubChem CID | 90467622 |
| IUPAC Name | 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid |
| Molecular Formula | C25H30N2O4 |
| Molecular Weight | 422.5 |
| XLogP | 1.8 |
| Topological Polar Surface Area | 74.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 594 |
| Property | Value |
|---|---|
| Molecular Weight | 422.5 |
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 422.22055744 |
| Monoisotopic Mass | 422.22055744 |
| Topological Polar Surface Area | 74.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 594 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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