(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C126H124Br4F3N31O13 — CID 158948665

About (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 158948665) has the molecular formula C126H124Br4F3N31O13 and a molecular weight of 2657.19 g/mol. Its IUPAC name is (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

• Compound Name: (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
• PubChem CID: 158948665
• Molecular Formula: C126H124Br4F3N31O13
• Molecular Weight: 2657.19 g/mol
• Exact Mass: 2651.67
• IUPAC Name: (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
• SMILES: CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(F)(F)F)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3cnco3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C28H31BrN6O4.C26H22BrN7O2.C25H27BrN6O3.C25H26N6O3.C22H18BrF3N6O/c1-38-16-28(37,17-39-2)27(36)34-12-10-19(11-13-34)24-23(29)25(30)35-26(33-24)21(15-32-35)20-8-9-22(31-14-20)18-6-4-3-5-7-18;27-22-23(17-8-10-33(11-9-17)26(35)21-14-29-15-36-21)32-25-19(13-31-34(25)24(22)28)18-6-7-20(30-12-18)16-4-2-1-3-5-16;1-25(13-33,14-34)24(35)31-8-6-15(7-9-31)21-20(26)22(27)32-23(30-21)18(12-29-32)17-10-16-4-2-3-5-19(16)28-11-17;1-14(32)21-22(16-7-9-30(10-8-16)25(34)15(2)33)29-24-19(13-28-31(24)23(21)26)18-11-17-5-3-4-6-20(17)27-12-18;23-17-18(12-5-7-31(8-6-12)21(33)22(24,25)26)30-20-15(11-29-32(20)19(17)27)14-9-13-3-1-2-4-16(13)28-10-14/h3-9,14-15,19,37H,10-13,16-17,30H2,1-2H3;1-7,12-15,17H,8-11,28H2;2-5,10-12,15,33-34H,6-9,13-14,27H2,1H3;3-6,11-13,15-16,33H,7-10,26H2,1-2H3;1-4,9-12H,5-8,27H2/t;;;15-;/m...1./s1
• InChIKey: JLDLNDMGFDQKHD-IJPZNPOWSA-N
• XLogP: 18.70
• TPSA: 589.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2657.19
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?

The IUPAC name of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 158948665) is (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

What is the SMILES notation for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?

The canonical SMILES for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(C2CCN(C(=O)C(F)(F)F)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3cnco3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?

The InChIKey is JLDLNDMGFDQKHD-IJPZNPOWSA-N. The full InChI is InChI=1S/C28H31BrN6O4.C26H22BrN7O2.C25H27BrN6O3.C25H26N6O3.C22H18BrF3N6O/c1-38-16-28(37,17-39-2)27(36)34-12-10-19(11-13-34)24-23(29)25(30)35-26(33-24)21(15-32-35)20-8-9-22(31-14-20)18-6-4-3-5-7-18;27-22-23(17-8-10-33(11-9-17)26(35)21-14-29-15-36-21)32-25-19(13-31-34(25)24(22)28)18-6-7-20(30-12-18)16-4-2-1-3-5-16;1-25(13-33,14-34)24(35)31-8-6-15(7-9-31)21-20(26)22(27)32-23(30-21)18(12-29-32)17-10-16-4-2-3-5-19(16)28-11-17;1-14(32)21-22(16-7-9-30(10-8-16)25(34)15(2)33)29-24-19(13-28-31(24)23(21)26)18-11-17-5-3-4-6-20(17)27-12-18;23-17-18(12-5-7-31(8-6-12)21(33)22(24,25)26)30-20-15(11-29-32(20)19(17)27)14-9-13-3-1-2-4-16(13)28-10-14/h3-9,14-15,19,37H,10-13,16-17,30H2,1-2H3;1-7,12-15,17H,8-11,28H2;2-5,10-12,15,33-34H,6-9,13-14,27H2,1H3;3-6,11-13,15-16,33H,7-10,26H2,1-2H3;1-4,9-12H,5-8,27H2/t;;;15-;/m...1./s1.

What are the key properties of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?

(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 2657.19 g/mol, XLogP of 18.70, 23 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 158948665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).