4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C64H73BBrClN16O6 — CID 160864121

About 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 160864121) has the molecular formula C64H73BBrClN16O6 and a molecular weight of 1288.56 g/mol. Its IUPAC name is 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 160864121
• Molecular Formula: C64H73BBrClN16O6
• Molecular Weight: 1288.56 g/mol
• Exact Mass: 1286.49
• IUPAC Name: 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CO.Nc1cc(-c2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(-c2ccnn2C2CCCCO2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(Cl)c2ccc(Br)cc2n1
• InChI: InChI=1S/C25H28N6O2.C15H12N6.C14H23BN2O3.C9H6BrClN2.CH4O/c26-23-16-19(22-10-12-28-31(22)25-6-2-4-14-33-25)18-8-7-17(15-20(18)29-23)21-9-11-27-30(21)24-5-1-3-13-32-24;16-15-8-11(13-4-6-18-21-13)10-2-1-9(7-14(10)19-15)12-3-5-17-20-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-2/h7-12,15-16,24-25H,1-6,13-14H2,(H2,26,29);1-8H,(H2,16,19)(H,17,20)(H,18,21);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);2H,1H3
• InChIKey: SKWMWCOAYITFTF-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 293.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1288.56
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 160864121) is 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CO.Nc1cc(-c2ccn[nH]2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(-c2ccnn2C2CCCCO2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.Nc1cc(Cl)c2ccc(Br)cc2n1.

What is the InChIKey of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is SKWMWCOAYITFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C15H12N6.C14H23BN2O3.C9H6BrClN2.CH4O/c26-23-16-19(22-10-12-28-31(22)25-6-2-4-14-33-25)18-8-7-17(15-20(18)29-23)21-9-11-27-30(21)24-5-1-3-13-32-24;16-15-8-11(13-4-6-18-21-13)10-2-1-9(7-14(10)19-15)12-3-5-17-20-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;1-2/h7-12,15-16,24-25H,1-6,13-14H2,(H2,26,29);1-8H,(H2,16,19)(H,17,20)(H,18,21);8-9,12H,5-7,10H2,1-4H3;1-4H,(H2,12,13);2H,1H3.

What are the key properties of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1288.56 g/mol, XLogP of 12.26, 8 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 160864121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).