1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C108H116Br5N33O5S — CID 159067190

About 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159067190) has the molecular formula C108H116Br5N33O5S and a molecular weight of 2387.93 g/mol. Its IUPAC name is 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159067190
• Molecular Formula: C108H116Br5N33O5S
• Molecular Weight: 2387.93 g/mol
• Exact Mass: 2381.55
• IUPAC Name: 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.CCS(=O)(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.COCCCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.Nc1c(Br)c(CNC2CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(CNCCCO)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C24H28BrN7O2S.C24H26BrN7O.C21H22BrN7.C20H21BrN6O.C19H19BrN6O/c1-3-35(33,34)31-8-6-18(7-9-31)27-14-21-22(25)23(26)32-24(30-21)19(13-29-32)17-11-16-10-15(2)4-5-20(16)28-12-17;1-14-3-4-20-16(9-14)10-17(11-28-20)19-12-29-32-23(26)22(25)21(30-24(19)32)13-27-18-5-7-31(8-6-18)15(2)33;22-19-18(12-25-15-5-7-24-8-6-15)28-21-16(11-27-29(21)20(19)23)14-9-13-3-1-2-4-17(13)26-10-14;1-28-8-4-7-23-12-17-18(21)19(22)27-20(26-17)15(11-25-27)14-9-13-5-2-3-6-16(13)24-10-14;20-17-16(11-22-6-3-7-27)25-19-14(10-24-26(19)18(17)21)13-8-12-4-1-2-5-15(12)23-9-13/h4-5,10-13,18,27H,3,6-9,14,26H2,1-2H3;3-4,9-12,18,27H,5-8,13,26H2,1-2H3;1-4,9-11,15,24-25H,5-8,12,23H2;2-3,5-6,9-11,23H,4,7-8,12,22H2,1H3;1-2,4-5,8-10,22,27H,3,6-7,11,21H2
• InChIKey: JZEYBGLRXRBTAR-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 504.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.93
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159067190) is 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.CCS(=O)(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.COCCCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br.Nc1c(Br)c(CNC2CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(CNCCCO)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JZEYBGLRXRBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN7O2S.C24H26BrN7O.C21H22BrN7.C20H21BrN6O.C19H19BrN6O/c1-3-35(33,34)31-8-6-18(7-9-31)27-14-21-22(25)23(26)32-24(30-21)19(13-29-32)17-11-16-10-15(2)4-5-20(16)28-12-17;1-14-3-4-20-16(9-14)10-17(11-28-20)19-12-29-32-23(26)22(25)21(30-24(19)32)13-27-18-5-7-31(8-6-18)15(2)33;22-19-18(12-25-15-5-7-24-8-6-15)28-21-16(11-27-29(21)20(19)23)14-9-13-3-1-2-4-17(13)26-10-14;1-28-8-4-7-23-12-17-18(21)19(22)27-20(26-17)15(11-25-27)14-9-13-5-2-3-6-16(13)24-10-14;20-17-16(11-22-6-3-7-27)25-19-14(10-24-26(19)18(17)21)13-8-12-4-1-2-5-15(12)23-9-13/h4-5,10-13,18,27H,3,6-9,14,26H2,1-2H3;3-4,9-12,18,27H,5-8,13,26H2,1-2H3;1-4,9-11,15,24-25H,5-8,12,23H2;2-3,5-6,9-11,23H,4,7-8,12,22H2,1H3;1-2,4-5,8-10,22,27H,3,6-7,11,21H2.

What are the key properties of 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2387.93 g/mol, XLogP of 16.51, 27 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;3-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]propan-1-ol;6-bromo-5-[[(1-ethylsulfonylpiperidin-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(3-methoxypropylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(piperidin-4-ylamino)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159067190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).