About 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone)
2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) (PubChem CID 161202568) has the molecular formula C80H83FN20O4S3
and a molecular weight of 1503.88 g/mol. Its IUPAC name is 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone).
Analyze 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone)?
The IUPAC name of 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) (CID 161202568) is 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone).
What is the SMILES notation for 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone)?
The canonical SMILES for 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) is Cc1ccc(-c2ccc(N)c(CC(=O)N3CCC(c4ncc(F)cn4)C3)n2)s1.Cc1ccc(-c2ccc(N)c(CC(=O)N3CCC(c4ncccn4)C3)n2)s1.Cc1ccc(-c2ccc(N)c(CC(=O)N3CCC(c4ncccn4)C3)n2)s1.Nc1ccc(C2=CC=CC2)nc1CC(=O)N1CCC(c2ncccn2)C1.
What is the InChIKey of 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone)?
The InChIKey is UVEGJPYMDHJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS.2C20H21N5OS.C20H21N5O/c1-12-2-5-18(28-12)16-4-3-15(22)17(25-16)8-19(27)26-7-6-13(11-26)20-23-9-14(21)10-24-20;2*1-13-3-6-18(27-13)16-5-4-15(21)17(24-16)11-19(26)25-10-7-14(12-25)20-22-8-2-9-23-20;21-16-6-7-17(14-4-1-2-5-14)24-18(16)12-19(26)25-11-8-15(13-25)20-22-9-3-10-23-20/h2-5,9-10,13H,6-8,11,22H2,1H3;2*2-6,8-9,14H,7,10-12,21H2,1H3;1-4,6-7,9-10,15H,5,8,11-13,21H2.
What are the key properties of 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone)?
2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) has a molecular weight of 1503.88 g/mol, XLogP of 11.64, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-cyclopenta-1,3-dien-1-yl-2-pyridinyl)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;bis(2-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone) is sourced from PubChem (CID 161202568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).