Zavegepant
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
Molecular Identity
Zavegepant
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
PubChem CID: 53472683
Zavegepant is a member of the class of ureas that is urea in which both amino groups are replaced by 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yl and {(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}amino groups. It is a calcitonin gene-related peptide receptor antagonist whose hydrochloride salt has been approved by the FDA for the acute treatment of migraine. It has a role as a calcitonin gene-related peptide receptor antagonist. It is a quinolone, a member of piperidines, a member of indazoles, a N-acylpiperazine, a member of ureas and a piperidinecarboxamide. It is a conjugate base of a zavegepant(1+).
2D Structure
Properties
C36H46N8O3
Molecular Formula
638.80
Molecular Weight
g/mol
638.3693
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
1160
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ZavegepantVazegepant1337918-83-8BMS-742413BHV-3500ODU3ZAZ94JBMS-742413-01N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamideBHV3500BHV 3500BMS742413BMS 7424134-(1,2-Dihydro-2-oxo-3-quinolinyl)-N-((1R)-1-((7-methyl-1H-indazol-5-yl)methyl)-2-(4-(1-methyl-4-piperidinyl)-1-piperazinyl)-2-oxoethyl)-1-piperidinecarboxamide1-Piperidinecarboxamide, 4-(1,2-dihydro-2-oxo-3-quinolinyl)-N-((1R)-1-((7-methyl-1H-indazol-5-yl)methyl)-2-(4-(1-methyl-4-piperidinyl)-1-piperazinyl)-2-oxoethyl)-N-((2R)-3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide
Data from PubChem (NCBI)
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