About bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 158234527) has the molecular formula C106H113N31O13
and a molecular weight of 2029.27 g/mol. Its IUPAC name is bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 158234527) is bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-n4ccnc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-n4ccnc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-n4ccnc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)c3cccnc3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is GEULCKPDTBCQIC-HKLCZZMFSA-N. The full InChI is InChI=1S/C30H27N7O2.2C26H30N8O4.C24H26N8O3/c1-19(38)26-27(21-11-14-36(15-12-21)30(39)23-8-5-13-32-16-23)35-29-24(18-34-37(29)28(26)31)22-9-10-25(33-17-22)20-6-3-2-4-7-20;2*1-16(37)21-22(17-5-8-32(9-6-17)25(38)26(2,13-35)14-36)31-24-19(12-30-34(24)23(21)27)18-3-4-20(29-11-18)33-10-7-28-15-33;1-14(33)20-21(16-5-8-30(9-6-16)24(35)15(2)34)29-23-18(12-28-32(23)22(20)25)17-3-4-19(27-11-17)31-10-7-26-13-31/h2-10,13,16-18,21H,11-12,14-15,31H2,1H3;2*3-4,7,10-12,15,17,35-36H,5-6,8-9,13-14,27H2,1-2H3;3-4,7,10-13,15-16,34H,5-6,8-9,25H2,1-2H3/t;;;15-/m...1/s1.
What are the key properties of bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2029.27 g/mol, XLogP of 9.42, 24 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one);(2R)-1-[4-[6-acetyl-7-amino-3-(6-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 158234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).