About (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one
(2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 159441285) has the molecular formula C102H116N24O13S
and a molecular weight of 1918.27 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one.
Frequently Asked Questions
What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one (CID 159441285) is (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one is CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccn(C)c3)cnn2c1N.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccsc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1.
What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is LSFANIDUHWJWDY-PJDRSBNVSA-N. The full InChI is InChI=1S/C28H32N6O4.C27H30N6O3.C26H28N6O3S.C21H26N6O3/c1-18(37)23-24(19-8-11-32(12-9-19)27(38)28(2,16-35)17-36)31-26-22(14-30-34(26)25(23)29)20-10-13-33(15-20)21-6-4-3-5-7-21;1-17(34)23-24(19-9-12-31(13-10-19)27(35)18(2)36-3)30-26-22(15-29-33(26)25(23)28)20-11-14-32(16-20)21-7-5-4-6-8-21;1-15(33)22-23(17-6-9-31(10-7-17)26(34)16(2)35-3)30-25-20(13-29-32(25)24(22)27)18-4-5-21(28-12-18)19-8-11-36-14-19;1-12(28)17-18(14-5-8-26(9-6-14)21(30)13(2)29)24-20-16(10-23-27(20)19(17)22)15-4-7-25(3)11-15/h3-7,10,13-15,19,35-36H,8-9,11-12,16-17,29H2,1-2H3;4-8,11,14-16,18-19H,9-10,12-13,28H2,1-3H3;4-5,8,11-14,16-17H,6-7,9-10,27H2,1-3H3;4,7,10-11,13-14,29H,5-6,8-9,22H2,1-3H3/t;18-;16-;13-/m.111/s1.
What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one?
(2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 1918.27 g/mol, XLogP of 12.03, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[6-acetyl-7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[6-acetyl-7-amino-3-(1-phenylpyrrol-3-yl)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-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 159441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).