US10093650, Example 14
(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-5-(5-oxo-1H-tetrazol-4-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
Molecular Identity
US10093650, Example 14
(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-5-(5-oxo-1H-tetrazol-4-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
PubChem CID: 136970071
2D Structure
Properties
C24H22F7N7O3
Molecular Formula
589.50
Molecular Weight
g/mol
589.1672
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
13
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1CN2C=CC(=N2)C3=C(C(=O)NC(C3)(C4=C(C=C(C=C4)OCCCC(F)(F)F)F)C(F)(F)F)N5C(=O)NN=N5Isomeric SMILES
SMILES: C1CC1CN2C=CC(=N2)C3=C(C(=O)N[C@@](C3)(C4=C(C=C(C=C4)OCCCC(F)(F)F)F)C(F)(F)F)N5C(=O)NN=N5Synonyms(20)
BMS-9861721808258-99-2US10093650, Example 14(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-2-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-5-(5-oxo-1H-tetrazol-4-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-oneE9L8QD5F8Borb1941922CHEMBL5418882SCHEMBL17073846GTPL12971VFFPVFKSCNJAMO-QFIPXVFZSA-NBDBM289003GLXC-27767EX-A8089US10093650, Example 16BMS986172
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to US10093650, Example 14
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