Hpk1-IN-32
4-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2,6-dimethylbenzamide
Molecular Identity
Hpk1-IN-32
4-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2,6-dimethylbenzamide
PubChem CID: 164889473
2D Structure
Properties
C28H37FN8O2
Molecular Formula
536.60
Molecular Weight
g/mol
536.3024
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
790
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1C(=O)NCCN2CCC(C2)F)C)C3=CN=C(C(=N3)OC4=CN(N=C4)C5CCN(CC5)C)NIsomeric SMILES
SMILES: CC1=CC(=CC(=C1C(=O)NCCN2CC[C@H](C2)F)C)C3=CN=C(C(=N3)OC4=CN(N=C4)C5CCN(CC5)C)NSynonyms(20)
HPK1-IN-322766481-17-6BGB-15025BGB 15025(R)-4-(5-Amino-6-((1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)oxy)pyrazin-2-yl)-N-(2-(3-fluoropyrrolidin-1-yl)ethyl)-2,6-dimethylbenzamide(R)-4-[5-Amino-6-[[1-(1-methyl-4-piperidyl)-4-pyrazolyl]oxy]-2-pyrazinyl]-N-[2-(3-fluoro-1-pyrrolidinyl)ethyl]-2,6-dimethylbenzamideorb1818818CHEMBL6148235SCHEMBL24269852BDBM698040EX-A6852AT42683US20240317714, Example A34DA-64261MS-29913
Data from PubChem (NCBI)
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