About 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one
1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one (PubChem CID 145424893) has the molecular formula C68H79ClF2N18O
and a molecular weight of 1237.95 g/mol. Its IUPAC name is 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one.
Analyze 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one?
The IUPAC name of 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one (CID 145424893) is 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one.
What is the SMILES notation for 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one?
The canonical SMILES for 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one is Cc1cccnc1C1C(=O)CCN1Cc1cn2c(N3CCN(C)CC3)c(-c3ccnc(C4N(Cc5cn6c(N7CCN(C)CC7)c(-c7ccnc(C8CCCN8Cc8nc9c(N%10CCN(C)CC%10)cccc9[nH]8)c7Cl)ccc6n5)CCC4(F)F)c3C)ccc2n1.
What is the InChIKey of 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one?
The InChIKey is UNGBOWQAHDFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H79ClF2N18O/c1-44-9-7-21-72-60(44)64-55(90)19-25-86(64)39-46-41-88-57(75-46)15-13-50(66(88)83-35-29-80(4)30-36-83)48-17-22-73-61(45(48)2)65-68(70,71)20-26-87(65)40-47-42-89-58(76-47)16-14-51(67(89)84-37-31-81(5)32-38-84)49-18-23-74-63(59(49)69)54-12-8-24-85(54)43-56-77-52-10-6-11-53(62(52)78-56)82-33-27-79(3)28-34-82/h6-7,9-11,13-18,21-23,41-42,54,64-65H,8,12,19-20,24-40,43H2,1-5H3,(H,77,78).
What are the key properties of 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one?
1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one has a molecular weight of 1237.95 g/mol, XLogP of 9.34, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[2-[1-[[6-[3-chloro-2-[1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,3-difluoropyrrolidin-2-yl]-3-methyl-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-(3-methyl-2-pyridinyl)pyrrolidin-3-one is sourced from PubChem (CID 145424893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).