About methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate
methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate (PubChem CID 178154028) has the molecular formula C72H88F2N16O10S2
and a molecular weight of 1439.73 g/mol. Its IUPAC name is methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate.
Analyze methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate (CID 178154028) is methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate is CCCS(=O)(=O)Nc1cccc(-c2nc(C3CCN(C(=O)C4CCN(C(=O)C5CCN(CC6CCN(C(=O)CCC(=O)N7CC8(CC(c9nn(CC(=O)N(C)CC(=O)NCC(=O)OC)c%10cccc(-c%11cc%12c(cnn%12C)cc%11F)c9%10)C8)C7)CC6)CC5)CC4)CC3)sc2-c2ccnc(N)n2)c1F.
What is the InChIKey of methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate?
The InChIKey is CHAZXJGHLQLACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H88F2N16O10S2/c1-5-32-102(98,99)82-54-10-6-9-51(64(54)74)66-67(55-14-23-76-71(75)79-55)101-68(80-66)45-19-28-87(29-20-45)70(97)47-21-30-88(31-22-47)69(96)46-17-24-85(25-18-46)39-44-15-26-86(27-16-44)59(92)12-13-60(93)89-42-72(43-89)35-49(36-72)65-63-50(52-34-57-48(33-53(52)73)37-78-84(57)3)8-7-11-56(63)90(81-65)41-61(94)83(2)40-58(91)77-38-62(95)100-4/h6-11,14,23,33-34,37,44-47,49,82H,5,12-13,15-22,24-32,35-36,38-43H2,1-4H3,(H,77,91)(H2,75,76,79).
What are the key properties of methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate?
methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate has a molecular weight of 1439.73 g/mol, XLogP of 7.01, 22 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[2-[3-[2-[4-[4-[[4-[4-[4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(propylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperidine-1-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-4-oxobutanoyl]-2-azaspiro[3.3]heptan-6-yl]-4-(5-fluoro-1-methylindazol-6-yl)indazol-1-yl]acetyl]-methylamino]acetyl]amino]acetate is sourced from PubChem (CID 178154028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).