Icalcaprant
4-[4-[[(2S)-2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
Molecular Identity
Icalcaprant
4-[4-[[(2S)-2-(3-methoxy-1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
PubChem CID: 134540598
2D Structure
Properties
C23H26N4O3
Molecular Formula
406.50
Molecular Weight
g/mol
406.2005
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
82.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
561
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C(=N1)OC)C2CCCN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)NIsomeric SMILES
SMILES: CN1C=C(C(=N1)OC)[C@@H]2CCCN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)NSynonyms(20)
IcalcaprantGNR4JZG668CVL3542227384-17-8CVL-354PF06874354PF-06874354RefChem:1087136Icalcaprant [INN]Icalcaprant [WHO-DD]Icalcaprant (USAN/INN)ICALCAPRANT [USAN]orb2277626CHEMBL5314519SCHEMBL20187287
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Icalcaprant
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