Iptocigistat
4-(1,3-dimethoxypropan-2-ylamino)-5-methoxy-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide
Molecular Identity
Iptocigistat
4-(1,3-dimethoxypropan-2-ylamino)-5-methoxy-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide
PubChem CID: 171819037
2D Structure
Properties
C18H22N6O6S
Molecular Formula
450.50
Molecular Weight
g/mol
450.1322
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
167
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
728
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=NN1C2=NN=C(S2)NC(=O)C3=CC(=C(C(=O)O3)OC)NC(COC)COCIsomeric SMILES
SMILES: CC1=CC=NN1C2=NN=C(S2)NC(=O)C3=CC(=C(C(=O)O3)OC)NC(COC)COCSynonyms(13)
Iptocigistat3047739-67-04-(1,3-Dimethoxypropan-2-ylamino)-5-methoxy-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamideiptocigistat [INN]ZV9N5M9AWWVENT03VENT-03SCHEMBL30963430GTPL14675EX-A16746compound 10 [WO2024137607]2H-Pyran-6-carboxamide, 3-methoxy-4-[[2-methoxy-1-(methoxymethyl)ethyl]amino]-N-[5-(5-methyl-1H-pyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-2-oxo-3-Methoxy-4-[[2-methoxy-1-(methoxymethyl)ethyl]amino]-N-[5-(5-methyl-1H-pyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-2-oxo-2H-pyran-6-carboxamide
Data from PubChem (NCBI)
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