1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane

C124H135Br3F3N33O11 — CID 159977707

About 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane

1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane (PubChem CID 159977707) has the molecular formula C124H135Br3F3N33O11 and a molecular weight of 2560.37 g/mol. Its IUPAC name is 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane.

Molecular Properties

• Compound Name: 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane
• PubChem CID: 159977707
• Molecular Formula: C124H135Br3F3N33O11
• Molecular Weight: 2560.37 g/mol
• Exact Mass: 2555.85
• IUPAC Name: 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane
• SMILES: C.C.C.C.C.C.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)CO)CC5)nc34)cc2c1.N#Cc1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N.Nc1c(Br)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-n4cccn4)nc3)cnn12.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12
• InChI: InChI=1S/C25H22FN7O2.C25H23FN6O3.C24H22BrFN6O2.C23H23BrN6O2.C21H21BrN8O2.6CH4/c26-20-4-2-1-3-17(20)21-6-5-16(12-29-21)19-13-30-33-24(28)18(11-27)23(31-25(19)33)15-7-9-32(10-8-15)22(35)14-34;26-20-4-2-1-3-17(20)21-6-5-16(11-28-21)18-12-29-32-24(27)19(13-33)23(30-25(18)32)15-7-9-31(10-8-15)22(35)14-34;25-21-22(14-7-9-31(10-8-14)20(34)13-33)30-24-17(12-29-32(24)23(21)27)15-5-6-19(28-11-15)16-3-1-2-4-18(16)26;1-13-2-3-18-15(8-13)9-16(10-26-18)17-11-27-30-22(25)20(24)21(28-23(17)30)14-4-6-29(7-5-14)19(32)12-31;22-18-19(13-4-8-28(9-5-13)17(32)12-31)27-21-15(11-26-30(21)20(18)23)14-2-3-16(24-10-14)29-7-1-6-25-29;;;;;;/h1-6,12-13,15,34H,7-10,14,28H2;1-6,11-13,15,34H,7-10,14,27H2;1-6,11-12,14,33H,7-10,13,27H2;2-3,8-11,14,31H,4-7,12,25H2,1H3;1-3,6-7,10-11,13,31H,4-5,8-9,12,23H2;6*1H4
• InChIKey: OFJDOIXBPKNMMK-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 606.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.37
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane?

The IUPAC name of 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane (CID 159977707) is 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane.

What is the SMILES notation for 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane?

The canonical SMILES for 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane is C.C.C.C.C.C.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C5CCN(C(=O)CO)CC5)nc34)cc2c1.N#Cc1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N.Nc1c(Br)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-n4cccn4)nc3)cnn12.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.

What is the InChIKey of 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane?

The InChIKey is OFJDOIXBPKNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2.C25H23FN6O3.C24H22BrFN6O2.C23H23BrN6O2.C21H21BrN8O2.6CH4/c26-20-4-2-1-3-17(20)21-6-5-16(12-29-21)19-13-30-33-24(28)18(11-27)23(31-25(19)33)15-7-9-32(10-8-15)22(35)14-34;26-20-4-2-1-3-17(20)21-6-5-16(11-28-21)18-12-29-32-24(27)19(13-33)23(30-25(18)32)15-7-9-31(10-8-15)22(35)14-34;25-21-22(14-7-9-31(10-8-14)20(34)13-33)30-24-17(12-29-32(24)23(21)27)15-5-6-19(28-11-15)16-3-1-2-4-18(16)26;1-13-2-3-18-15(8-13)9-16(10-26-18)17-11-27-30-22(25)20(24)21(28-23(17)30)14-4-6-29(7-5-14)19(32)12-31;22-18-19(13-4-8-28(9-5-13)17(32)12-31)27-21-15(11-26-30(21)20(18)23)14-2-3-16(24-10-14)29-7-1-6-25-29;;;;;;/h1-6,12-13,15,34H,7-10,14,28H2;1-6,11-13,15,34H,7-10,14,27H2;1-6,11-12,14,33H,7-10,13,27H2;2-3,8-11,14,31H,4-7,12,25H2,1H3;1-3,6-7,10-11,13,31H,4-5,8-9,12,23H2;6*1H4.

What are the key properties of 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane?

1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane has a molecular weight of 2560.37 g/mol, XLogP of 18.21, 20 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-amino-6-bromo-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[7-amino-6-bromo-3-(6-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;methane is sourced from PubChem (CID 159977707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).