4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C95H90Br3N21O9 — CID 159603922

About 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 159603922) has the molecular formula C95H90Br3N21O9 and a molecular weight of 1909.61 g/mol. Its IUPAC name is 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 159603922
• Molecular Formula: C95H90Br3N21O9
• Molecular Weight: 1909.61 g/mol
• Exact Mass: 1905.48
• IUPAC Name: 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• SMILES: CC(=O)c1c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)cn3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C25H25N5O3.C24H22BrN5O2.C23H21BrN6O2.C23H22BrN5O2/c1-13-3-8-20-17(9-13)10-18(11-27-20)19-12-28-30-23(26)21(14(2)31)22(29-24(19)30)15-4-6-16(7-5-15)25(32)33;25-20-21(15-6-8-16(9-7-15)24(31)32)29-23-18(13-28-30(23)22(20)26)19-11-10-17(12-27-19)14-4-2-1-3-5-14;24-18-19(13-6-8-15(9-7-13)23(31)32)29-22-17(12-28-30(22)20(18)25)16-10-26-21(27-11-16)14-4-2-1-3-5-14;24-19-20(14-6-8-15(9-7-14)23(30)31)27-22-18(12-26-29(22)21(19)25)16-10-11-28(13-16)17-4-2-1-3-5-17/h3,8-12,15-16H,4-7,26H2,1-2H3,(H,32,33);1-5,10-13,15-16H,6-9,26H2,(H,31,32);1-5,10-13,15H,6-9,25H2,(H,31,32);1-5,10-15H,6-9,25H2,(H,30,31)
• InChIKey: MLVHWHXBLQKVJS-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 447.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.61
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 159603922) is 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is CC(=O)c1c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)cn3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The InChIKey is MLVHWHXBLQKVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3.C24H22BrN5O2.C23H21BrN6O2.C23H22BrN5O2/c1-13-3-8-20-17(9-13)10-18(11-27-20)19-12-28-30-23(26)21(14(2)31)22(29-24(19)30)15-4-6-16(7-5-15)25(32)33;25-20-21(15-6-8-16(9-7-15)24(31)32)29-23-18(13-28-30(23)22(20)26)19-11-10-17(12-27-19)14-4-2-1-3-5-14;24-18-19(13-6-8-15(9-7-13)23(31)32)29-22-17(12-28-30(22)20(18)25)16-10-26-21(27-11-16)14-4-2-1-3-5-14;24-19-20(14-6-8-15(9-7-14)23(30)31)27-22-18(12-26-29(22)21(19)25)16-10-11-28(13-16)17-4-2-1-3-5-17/h3,8-12,15-16H,4-7,26H2,1-2H3,(H,32,33);1-5,10-13,15-16H,6-9,26H2,(H,31,32);1-5,10-13,15H,6-9,25H2,(H,31,32);1-5,10-15H,6-9,25H2,(H,30,31).

What are the key properties of 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1909.61 g/mol, XLogP of 19.00, 16 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 159603922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).