4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C110H108Br5N27O12 — CID 158024283

About 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 158024283) has the molecular formula C110H108Br5N27O12 and a molecular weight of 2399.77 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 158024283
• Molecular Formula: C110H108Br5N27O12
• Molecular Weight: 2399.77 g/mol
• Exact Mass: 2393.46
• IUPAC Name: 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
• SMILES: CON(C)C(=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1c(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)CC4)nc23)oc2ccncc12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cc4cnccc4o3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(C4=CCC=N4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(C4CC4)nc3)cnn12
• InChI: InChI=1S/C26H27BrN6O2.C22H21BrN6O2.C21H20BrN5O3.C21H22BrN5O2.C20H18BrN5O3/c1-32(35-2)26(34)18-10-8-17(9-11-18)23-22(27)24(28)33-25(31-23)20(15-30-33)19-12-13-21(29-14-19)16-6-4-3-5-7-16;23-18-19(12-3-5-13(6-4-12)22(30)31)28-21-15(11-27-29(21)20(18)24)14-7-8-17(26-10-14)16-2-1-9-25-16;1-10-13-8-24-7-6-15(13)30-18(10)14-9-25-27-19(23)16(22)17(26-20(14)27)11-2-4-12(5-3-11)21(28)29;22-17-18(12-3-5-13(6-4-12)21(28)29)26-20-15(10-25-27(20)19(17)23)14-7-8-16(24-9-14)11-1-2-11;21-16-17(10-1-3-11(4-2-10)20(27)28)25-19-13(9-24-26(19)18(16)22)15-7-12-8-23-6-5-14(12)29-15/h3-7,12-15,17-18H,8-11,28H2,1-2H3;2,7-13H,1,3-6,24H2,(H,30,31);6-9,11-12H,2-5,23H2,1H3,(H,28,29);7-13H,1-6,23H2,(H,28,29);5-11H,1-4,22H2,(H,27,28)
• InChIKey: FGKQWPUEWCSZFH-UHFFFAOYSA-N
• XLogP: 22.57
• TPSA: 562.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.77
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 158024283) is 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-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-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is CON(C)C(=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1c(-c2cnn3c(N)c(Br)c(C4CCC(C(=O)O)CC4)nc23)oc2ccncc12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3cc4cnccc4o3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(C4=CCC=N4)nc3)cnn12.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(C4CC4)nc3)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

The InChIKey is FGKQWPUEWCSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN6O2.C22H21BrN6O2.C21H20BrN5O3.C21H22BrN5O2.C20H18BrN5O3/c1-32(35-2)26(34)18-10-8-17(9-11-18)23-22(27)24(28)33-25(31-23)20(15-30-33)19-12-13-21(29-14-19)16-6-4-3-5-7-16;23-18-19(12-3-5-13(6-4-12)22(30)31)28-21-15(11-27-29(21)20(18)24)14-7-8-17(26-10-14)16-2-1-9-25-16;1-10-13-8-24-7-6-15(13)30-18(10)14-9-25-27-19(23)16(22)17(26-20(14)27)11-2-4-12(5-3-11)21(28)29;22-17-18(12-3-5-13(6-4-12)21(28)29)26-20-15(10-25-27(20)19(17)23)14-7-8-16(24-9-14)11-1-2-11;21-16-17(10-1-3-11(4-2-10)20(27)28)25-19-13(9-24-26(19)18(16)22)15-7-12-8-23-6-5-14(12)29-15/h3-7,12-15,17-18H,8-11,28H2,1-2H3;2,7-13H,1,3-6,24H2,(H,30,31);6-9,11-12H,2-5,23H2,1H3,(H,28,29);7-13H,1-6,23H2,(H,28,29);5-11H,1-4,22H2,(H,27,28).

What are the key properties of 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?

4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 2399.77 g/mol, XLogP of 22.57, 19 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158024283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).