1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid

C119H116Br4N26O10 — CID 157272447

About 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid

1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid (PubChem CID 157272447) has the molecular formula C119H116Br4N26O10 and a molecular weight of 2390.02 g/mol. Its IUPAC name is 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid.

Molecular Properties

• Compound Name: 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid
• PubChem CID: 157272447
• Molecular Formula: C119H116Br4N26O10
• Molecular Weight: 2390.02 g/mol
• Exact Mass: 2384.61
• IUPAC Name: 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid
• SMILES: CC(=O)c1c(N2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(C)(CCCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br)C(=O)O.CC(C)(CCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br)CC(=O)O.Nc1c(Br)c(CCC2CCN(C=O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(CCCCC(=O)O)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C25H24N6O3.2C24H24BrN5O2.C24H24BrN5O.C22H20BrN5O2/c1-15(32)21-22(26)31-23(29-24(21)30-11-9-17(10-12-30)25(33)34)19(14-28-31)18-7-8-20(27-13-18)16-5-3-2-4-6-16;1-24(2,23(31)32)12-6-9-19-20(25)21(26)30-22(29-19)17(14-28-30)16-10-11-18(27-13-16)15-7-4-3-5-8-15;1-24(2,12-20(31)32)11-10-19-21(25)22(26)30-23(29-19)17(14-28-30)16-8-9-18(27-13-16)15-6-4-3-5-7-15;25-22-21(8-5-16-9-11-29(15-31)12-10-16)28-24-20(14-27-30(24)23(22)26)19-7-6-17-3-1-2-4-18(17)13-19;23-20-18(8-4-5-9-19(29)30)27-22-16(13-26-28(22)21(20)24)15-10-11-17(25-12-15)14-6-2-1-3-7-14/h2-8,13-14,17H,9-12,26H2,1H3,(H,33,34);3-5,7-8,10-11,13-14H,6,9,12,26H2,1-2H3,(H,31,32);3-9,13-14H,10-12,26H2,1-2H3,(H,31,32);1-4,6-7,13-16H,5,8-12,26H2;1-3,6-7,10-13H,4-5,8-9,24H2,(H,29,30)
• InChIKey: AYRUXYCFCIAQEV-UHFFFAOYSA-N
• XLogP: 23.31
• TPSA: 522.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.02
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid?

The IUPAC name of 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid (CID 157272447) is 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid.

What is the SMILES notation for 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid?

The canonical SMILES for 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid is CC(=O)c1c(N2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(C)(CCCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br)C(=O)O.CC(C)(CCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N)c1Br)CC(=O)O.Nc1c(Br)c(CCC2CCN(C=O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(Br)c(CCCCC(=O)O)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid?

The InChIKey is AYRUXYCFCIAQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3.2C24H24BrN5O2.C24H24BrN5O.C22H20BrN5O2/c1-15(32)21-22(26)31-23(29-24(21)30-11-9-17(10-12-30)25(33)34)19(14-28-31)18-7-8-20(27-13-18)16-5-3-2-4-6-16;1-24(2,23(31)32)12-6-9-19-20(25)21(26)30-22(29-19)17(14-28-30)16-10-11-18(27-13-16)15-7-4-3-5-8-15;1-24(2,12-20(31)32)11-10-19-21(25)22(26)30-23(29-19)17(14-28-30)16-8-9-18(27-13-16)15-6-4-3-5-7-15;25-22-21(8-5-16-9-11-29(15-31)12-10-16)28-24-20(14-27-30(24)23(22)26)19-7-6-17-3-1-2-4-18(17)13-19;23-20-18(8-4-5-9-19(29)30)27-22-16(13-26-28(22)21(20)24)15-10-11-17(25-12-15)14-6-2-1-3-7-14/h2-8,13-14,17H,9-12,26H2,1H3,(H,33,34);3-5,7-8,10-11,13-14H,6,9,12,26H2,1-2H3,(H,31,32);3-9,13-14H,10-12,26H2,1-2H3,(H,31,32);1-4,6-7,13-16H,5,8-12,26H2;1-3,6-7,10-13H,4-5,8-9,24H2,(H,29,30).

What are the key properties of 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid?

1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid has a molecular weight of 2390.02 g/mol, XLogP of 23.31, 31 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid is sourced from PubChem (CID 157272447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).