Setipiprant
2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
Molecular Identity
Setipiprant
2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
PubChem CID: 49843471
Setipiprant is a naphthalenecarboxamide.
2D Structure
Properties
C24H19FN2O3
Molecular Formula
402.40
Molecular Weight
g/mol
402.1380
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
62.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
673
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54Isomeric SMILES
SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54Synonyms(20)
Setipiprant866460-33-5ACT-129968KYTH-105BHF20LA2GM2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acidDTXSID002357395H-Pyrido(4,3-b)indole-5-acetic acid, 8-fluoro-1,2,3,4-tetrahydro-2-(1-naphthalenylcarbonyl)-setipiprantum2-(8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido(4,3-b)indol-5-yl)acetic acidRefChem:931658DTXCID801582302-(8-fluoro-2-(naphthalene-1-carbonyl)-1H,2H,3H,4H,5H-pyrido(4,3-b)indol-5-yl)acetic acid2-(2-(1-naphthoyl)-8-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)acetic acidMFCD23136043
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Setipiprant
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