4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone

C113H124Br2N26O13S — CID 159803510

About 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone

4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone (PubChem CID 159803510) has the molecular formula C113H124Br2N26O13S and a molecular weight of 2246.28 g/mol. Its IUPAC name is 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

• Compound Name: 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone
• PubChem CID: 159803510
• Molecular Formula: C113H124Br2N26O13S
• Molecular Weight: 2246.28 g/mol
• Exact Mass: 2242.79
• IUPAC Name: 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone
• SMILES: CC(=O)c1c(C2CCN(C(=O)NCC3(CO)CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCC(CO)(CO)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CS(=O)(=O)CC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1
• InChI: InChI=1S/C32H37N7O4.C30H35N7O4.C26H27BrN6O2.C25H25BrN6O3S/c1-21(41)27-28(23-9-13-38(14-10-23)31(42)35-19-32(20-40)11-15-43-16-12-32)37-30-25(18-36-39(30)29(27)33)24-7-8-26(34-17-24)22-5-3-2-4-6-22;1-3-30(17-38,18-39)35-29(41)36-13-11-21(12-14-36)26-25(19(2)40)27(31)37-28(34-26)23(16-33-37)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-16(35-2)26(34)32-12-10-18(11-13-32)23-22(27)24(28)33-25(31-23)20(15-30-33)19-8-9-21(29-14-19)17-6-4-3-5-7-17;1-36(34,35)15-21(33)31-11-9-17(10-12-31)23-22(26)24(27)32-25(30-23)19(14-29-32)18-7-8-20(28-13-18)16-5-3-2-4-6-16/h2-8,17-18,23,40H,9-16,19-20,33H2,1H3,(H,35,42);4-10,15-16,21,38-39H,3,11-14,17-18,31H2,1-2H3,(H,35,41);3-9,14-16,18H,10-13,28H2,1-2H3;2-8,13-14,17H,9-12,15,27H2,1H3/t;;16-;/m..1./s1
• InChIKey: NKCAANKLYYVPHY-FJPCFGBSSA-N
• XLogP: 15.28
• TPSA: 529.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.28
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone?

The IUPAC name of 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone (CID 159803510) is 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone.

What is the SMILES notation for 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone?

The canonical SMILES for 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone is CC(=O)c1c(C2CCN(C(=O)NCC3(CO)CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCC(CO)(CO)NC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.CO[C@H](C)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.CS(=O)(=O)CC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.

What is the InChIKey of 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone?

The InChIKey is NKCAANKLYYVPHY-FJPCFGBSSA-N. The full InChI is InChI=1S/C32H37N7O4.C30H35N7O4.C26H27BrN6O2.C25H25BrN6O3S/c1-21(41)27-28(23-9-13-38(14-10-23)31(42)35-19-32(20-40)11-15-43-16-12-32)37-30-25(18-36-39(30)29(27)33)24-7-8-26(34-17-24)22-5-3-2-4-6-22;1-3-30(17-38,18-39)35-29(41)36-13-11-21(12-14-36)26-25(19(2)40)27(31)37-28(34-26)23(16-33-37)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-16(35-2)26(34)32-12-10-18(11-13-32)23-22(27)24(28)33-25(31-23)20(15-30-33)19-8-9-21(29-14-19)17-6-4-3-5-7-17;1-36(34,35)15-21(33)31-11-9-17(10-12-31)23-22(26)24(27)32-25(30-23)19(14-29-32)18-7-8-20(28-13-18)16-5-3-2-4-6-16/h2-8,17-18,23,40H,9-16,19-20,33H2,1H3,(H,35,42);4-10,15-16,21,38-39H,3,11-14,17-18,31H2,1-2H3,(H,35,41);3-9,14-16,18H,10-13,28H2,1-2H3;2-8,13-14,17H,9-12,15,27H2,1H3/t;;16-;/m..1./s1.

What are the key properties of 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone?

4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone has a molecular weight of 2246.28 g/mol, XLogP of 15.28, 25 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-1-carboxamide;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]piperidine-1-carboxamide;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methoxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 159803510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).