Htl-0022562
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
Molecular Identity
Htl-0022562
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
PubChem CID: 129072557
2D Structure
Properties
C40H49N11O5
Molecular Formula
763.90
Molecular Weight
g/mol
763.3918
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
190
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
1380
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC2=C1NN=C2)CC(C(=O)NC(CC3CCNCC3)C(=O)N4CCN(CC4)C5=CC=NC=C5)NC(=O)N6CCC7(CC6)C8=C(NC(=O)O7)N=CC=C8Isomeric SMILES
SMILES: CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)C5=CC=NC=C5)NC(=O)N6CCC7(CC6)C8=C(NC(=O)O7)N=CC=C8Synonyms(20)
HTL22562HTL-00225622097085-63-5UNII-QP50ESO5RAQP50ESO5RAHTL0022562compound 8 [PMID: 32558564]N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro(piperidine-4,4'-pyrido(2,3-d)(1,3)oxazine)-1-carboxamidecompound 8 (PMID: 32558564)RefChem:146874HTL-22562orb1691247CHEMBL4635331SCHEMBL18788046GTPL11113
Data from PubChem (NCBI)
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