MK-0812
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
Molecular Identity
MK-0812
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID: 11180808
2D Structure
Properties
C24H34F3N3O3
Molecular Formula
469.50
Molecular Weight
g/mol
469.2552
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
63.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
692
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)FIsomeric SMILES
SMILES: CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)FSynonyms(20)
MK-0812624733-88-6MK0812[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanoneCHEMBL3305901((1S,3R)-1-isopropyl-3-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)cyclopentyl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanoneC24H34F3N3O3MTMDXAIUENDNDL-RJSMDTJLSA-NMFCD11977737MK 08121,5-Anhydro-2,3-dideoxy-3-[[(1R,3S)-3-[[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl]-3-(1-methylethyl)cyclopentyl]amino]-4-O-methyl-D-erythro-pentitolGTPL9048orb1679026SCHEMBL2209755SCHEMBL30046631
Data from PubChem (NCBI)
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Drug Network
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