Molecules/(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
trans-(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid
Molecular Identity
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
trans-(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID: 122670110
2D Structure
Properties
C20H19ClF3N3O4
Molecular Formula
457.80
Molecular Weight
g/mol
457.1016
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
92.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CN(C1=CC(=C(C=C1F)F)Cl)C2=CN=C(C(=N2)OC)C(=O)C3CC3C(=O)O)FIsomeric SMILES
SMILES: CC(C)(CN(C1=CC(=C(C=C1F)F)Cl)C2=CN=C(C(=N2)OC)C(=O)[C@H]3C[C@@H]3C(=O)O)FSynonyms(20)
AZD98982042347-69-1AZD-9898(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acidA1IHJCH43TDX2PUorb1707604CHEMBL3961833SCHEMBL18205856GTPL10479BDBM223287GLXC-21495EX-A8347AKOS040741203
Data from PubChem (NCBI)
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Molecular Structure
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
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Drug Network
Trials and conditions connected to (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
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