4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C106H95Br5F3N39O4S — CID 159054750

About 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159054750) has the molecular formula C106H95Br5F3N39O4S and a molecular weight of 2467.78 g/mol. Its IUPAC name is 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159054750
• Molecular Formula: C106H95Br5F3N39O4S
• Molecular Weight: 2467.78 g/mol
• Exact Mass: 2461.40
• IUPAC Name: 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)NCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCC(N3CCCC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCNC(=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCn3nc(C(F)(F)F)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCn3ncnc3C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H24BrN7O.C22H24BrN7O2S.C21H15BrF3N9.C20H16BrN9.C19H16BrN7O/c25-21-22(26)32-23(18(14-28-32)16-12-15-4-1-2-5-19(15)27-13-16)29-24(21)30-10-7-17(8-11-30)31-9-3-6-20(31)33;1-33(31,32)27-11-14-6-8-29(9-7-14)22-19(23)20(24)30-21(28-22)17(13-26-30)16-10-15-4-2-3-5-18(15)25-12-16;22-16-17(26)34-18(13(9-28-34)12-7-11-3-1-2-4-14(11)27-8-12)30-19(16)32-5-6-33-15(10-32)29-20(31-33)21(23,24)25;21-17-18(22)30-19(27-20(17)28-5-6-29-16(10-28)24-11-26-29)14(9-25-30)13-7-12-3-1-2-4-15(12)23-8-13;20-16-17(21)27-18(25-19(16)26-6-5-22-15(28)10-26)13(9-24-27)12-7-11-3-1-2-4-14(11)23-8-12/h1-2,4-5,12-14,17H,3,6-11,26H2;2-5,10,12-14,27H,6-9,11,24H2,1H3;1-4,7-9H,5-6,10,26H2;1-4,7-9,11H,5-6,10,22H2;1-4,7-9H,5-6,10,21H2,(H,22,28)
• InChIKey: JXSGCDRYICZEHC-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 518.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2467.78
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159054750) is 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)NCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCC(N3CCCC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCNC(=O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCn3nc(C(F)(F)F)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCn3ncnc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JXSGCDRYICZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN7O.C22H24BrN7O2S.C21H15BrF3N9.C20H16BrN9.C19H16BrN7O/c25-21-22(26)32-23(18(14-28-32)16-12-15-4-1-2-5-19(15)27-13-16)29-24(21)30-10-7-17(8-11-30)31-9-3-6-20(31)33;1-33(31,32)27-11-14-6-8-29(9-7-14)22-19(23)20(24)30-21(28-22)17(13-26-30)16-10-15-4-2-3-5-18(15)25-12-16;22-16-17(26)34-18(13(9-28-34)12-7-11-3-1-2-4-14(11)27-8-12)30-19(16)32-5-6-33-15(10-32)29-20(31-33)21(23,24)25;21-17-18(22)30-19(27-20(17)28-5-6-29-16(10-28)24-11-26-29)14(9-25-30)13-7-12-3-1-2-4-15(12)23-8-13;20-16-17(21)27-18(25-19(16)26-6-5-22-15(28)10-26)13(9-24-27)12-7-11-3-1-2-4-14(11)23-8-12/h1-2,4-5,12-14,17H,3,6-11,26H2;2-5,10,12-14,27H,6-9,11,24H2,1H3;1-4,7-9H,5-6,10,26H2;1-4,7-9,11H,5-6,10,22H2;1-4,7-9H,5-6,10,21H2,(H,22,28).

What are the key properties of 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2467.78 g/mol, XLogP of 15.98, 14 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159054750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).