Apinocaltamide
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
Molecular Identity
Apinocaltamide
N-[1-[(5-cyano-2-pyridinyl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID: 118560618
Apinocaltamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of {4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetic acid with the amino group of 6-[(3-amino-1H-pyrazol-1-yl)methyl]pyridine-3-carbonitrile. It is a selective, orally available T-type calcium channel blocker that is being studied as a potential new treatment in epilepsy. It has a role as a T-type calcium channel blocker and an anticonvulsant. It is a secondary carboxamide, a nitrile, a member of benzenes, a member of pyrazoles, a member of pyridines, an organofluorine compound and a member of cyclopropanes.
2D Structure
Properties
C22H18F3N5O
Molecular Formula
425.40
Molecular Weight
g/mol
425.1463
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
83.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
693
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)FIsomeric SMILES
SMILES: C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)FSynonyms(20)
1838651-58-3ApinocaltamideACT-709478N-(1-((5-Cyanopyridin-2-yl)methyl)-1H-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)acetamideNBI-8271043Z7U1U8Z9EBenzeneacetamide, N-[1-[(5-cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]-N-(1-((5-Cyanopyridin-2-yl)methyl)-1H-pyrazol-3-yl)-2-(4-(1-(trifluoromethyl)cyclopropyl)-phenyl)acetamideBenzeneacetamide, N-(1-((5-cyano-2-pyridinyl)methyl)-1H-pyrazol-3-yl)-4-(1-(trifluoromethyl)cyclopropyl)-N-(1-((5-Cyano-2-pyridinyl)methyl)-1H-pyrazol-3-yl)-4-(1-(trifluoromethyl)cyclopropyl)benzeneacetamideN-[1-[(5-Cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]benzeneacetamideN-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2-{4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamideRefChem:109452apinocaltamidaACT 709478
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Apinocaltamide
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