1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C107H112N24O14S — CID 157080524

About 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 157080524) has the molecular formula C107H112N24O14S and a molecular weight of 1990.29 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 157080524
• Molecular Formula: C107H112N24O14S
• Molecular Weight: 1990.29 g/mol
• Exact Mass: 1988.85
• IUPAC Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(S(C)(=O)=O)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
• InChI: InChI=1S/C29H32N6O4.C28H30N6O4.C26H26N6O3.C24H24N6O3S/c1-18(38)24-25(20-10-12-34(13-11-20)28(39)29(2,16-36)17-37)33-27-22(15-32-35(27)26(24)30)21-8-9-23(31-14-21)19-6-4-3-5-7-19;1-17(37)23-24(20-10-11-33(14-20)27(38)28(2,15-35)16-36)32-26-21(13-31-34(26)25(23)29)19-8-9-22(30-12-19)18-6-4-3-5-7-18;1-15(33)22-23(19-10-11-31(14-19)26(35)16(2)34)30-25-20(13-29-32(25)24(22)27)18-8-9-21(28-12-18)17-6-4-3-5-7-17;1-15(31)21-22(18-10-11-29(14-18)34(2,32)33)28-24-19(13-27-30(24)23(21)25)17-8-9-20(26-12-17)16-6-4-3-5-7-16/h3-9,14-15,20,36-37H,10-13,16-17,30H2,1-2H3;3-9,12-13,20,35-36H,10-11,14-16,29H2,1-2H3;3-9,12-13,16,19,34H,10-11,14,27H2,1-2H3;3-9,12-13,18H,10-11,14,25H2,1-2H3/t;;16-,19?;/m..1./s1
• InChIKey: ADMJXTHWHFAYQX-LAXPQGCBSA-N
• XLogP: 11.42
• TPSA: 544.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.29
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 157080524) is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(S(C)(=O)=O)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.

What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is ADMJXTHWHFAYQX-LAXPQGCBSA-N. The full InChI is InChI=1S/C29H32N6O4.C28H30N6O4.C26H26N6O3.C24H24N6O3S/c1-18(38)24-25(20-10-12-34(13-11-20)28(39)29(2,16-36)17-37)33-27-22(15-32-35(27)26(24)30)21-8-9-23(31-14-21)19-6-4-3-5-7-19;1-17(37)23-24(20-10-11-33(14-20)27(38)28(2,15-35)16-36)32-26-21(13-31-34(26)25(23)29)19-8-9-22(30-12-19)18-6-4-3-5-7-18;1-15(33)22-23(19-10-11-31(14-19)26(35)16(2)34)30-25-20(13-29-32(25)24(22)27)18-8-9-21(28-12-18)17-6-4-3-5-7-17;1-15(31)21-22(18-10-11-29(14-18)34(2,32)33)28-24-19(13-27-30(24)23(21)25)17-8-9-20(26-12-17)16-6-4-3-5-7-16/h3-9,14-15,20,36-37H,10-13,16-17,30H2,1-2H3;3-9,12-13,20,35-36H,10-11,14-16,29H2,1-2H3;3-9,12-13,16,19,34H,10-11,14,27H2,1-2H3;3-9,12-13,18H,10-11,14,25H2,1-2H3/t;;16-,19?;/m..1./s1.

What are the key properties of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 1990.29 g/mol, XLogP of 11.42, 24 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 157080524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).