4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C114H117Br5FN27O11 — CID 158998690

About 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 158998690) has the molecular formula C114H117Br5FN27O11 and a molecular weight of 2459.89 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 158998690
• Molecular Formula: C114H117Br5FN27O11
• Molecular Weight: 2459.89 g/mol
• Exact Mass: 2453.53
• IUPAC Name: 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• SMILES: Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc2c1F.Cc1cccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(N4CCCCC4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12
• InChI: InChI=1S/C23H21BrFN5O2.C23H27BrN6O2.2C23H22BrN5O2.C22H25BrN6O3/c1-11-2-7-17-15(19(11)25)8-14(9-27-17)16-10-28-30-21(26)18(24)20(29-22(16)30)12-3-5-13(6-4-12)23(31)32;24-19-20(14-4-6-15(7-5-14)23(31)32)28-22-17(13-27-30(22)21(19)25)16-8-9-18(26-12-16)29-10-2-1-3-11-29;1-12-2-7-18-15(8-12)9-16(10-26-18)17-11-27-29-21(25)19(24)20(28-22(17)29)13-3-5-14(6-4-13)23(30)31;1-12-3-2-4-18-16(12)9-15(10-26-18)17-11-27-29-21(25)19(24)20(28-22(17)29)13-5-7-14(8-6-13)23(30)31;23-18-19(13-1-3-14(4-2-13)22(30)31)27-21-16(12-26-29(21)20(18)24)15-5-6-17(25-11-15)28-7-9-32-10-8-28/h2,7-10,12-13H,3-6,26H2,1H3,(H,31,32);8-9,12-15H,1-7,10-11,25H2,(H,31,32);2,7-11,13-14H,3-6,25H2,1H3,(H,30,31);2-4,9-11,13-14H,5-8,25H2,1H3,(H,30,31);5-6,11-14H,1-4,7-10,24H2,(H,30,31)
• InChIKey: JRBLIUZNSAEPTK-UHFFFAOYSA-N
• XLogP: 22.82
• TPSA: 547.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.89
LogP ≤ 5	22.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 158998690) is 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc2c1F.Cc1cccc2ncc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cc12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(N4CCCCC4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(N4CCOCC4)nc3)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The InChIKey is JRBLIUZNSAEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN5O2.C23H27BrN6O2.2C23H22BrN5O2.C22H25BrN6O3/c1-11-2-7-17-15(19(11)25)8-14(9-27-17)16-10-28-30-21(26)18(24)20(29-22(16)30)12-3-5-13(6-4-12)23(31)32;24-19-20(14-4-6-15(7-5-14)23(31)32)28-22-17(13-27-30(22)21(19)25)16-8-9-18(26-12-16)29-10-2-1-3-11-29;1-12-2-7-18-15(8-12)9-16(10-26-18)17-11-27-29-21(25)19(24)20(28-22(17)29)13-3-5-14(6-4-13)23(30)31;1-12-3-2-4-18-16(12)9-15(10-26-18)17-11-27-29-21(25)19(24)20(28-22(17)29)13-5-7-14(8-6-13)23(30)31;23-18-19(13-1-3-14(4-2-13)22(30)31)27-21-16(12-26-29(21)20(18)24)15-5-6-17(25-11-15)28-7-9-32-10-8-28/h2,7-10,12-13H,3-6,26H2,1H3,(H,31,32);8-9,12-15H,1-7,10-11,25H2,(H,31,32);2,7-11,13-14H,3-6,25H2,1H3,(H,30,31);2-4,9-11,13-14H,5-8,25H2,1H3,(H,30,31);5-6,11-14H,1-4,7-10,24H2,(H,30,31).

What are the key properties of 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 2459.89 g/mol, XLogP of 22.82, 17 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(5-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158998690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).