3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine

C69H81B2BrCl2N14O7 — CID 163741210

About 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine

3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine (PubChem CID 163741210) has the molecular formula C69H81B2BrCl2N14O7 and a molecular weight of 1390.93 g/mol. Its IUPAC name is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
• PubChem CID: 163741210
• Molecular Formula: C69H81B2BrCl2N14O7
• Molecular Weight: 1390.93 g/mol
• Exact Mass: 1388.52
• IUPAC Name: 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
• SMILES: C.C.CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.Clc1ccn2ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.Clc1ccn2ncc(Br)c2n1.OB(O)c1ccncc1.c1cc(-c2ccn3ncc(-c4ccc(CN5CCOCC5)cc4)c3n2)ccn1
• InChI: InChI=1S/C22H21N5O.C17H26BNO3.C17H17ClN4O.C6H3BrClN3.C5H6BNO2.2CH4/c1-3-18(4-2-17(1)16-26-11-13-28-14-12-26)20-15-24-27-10-7-21(25-22(20)27)19-5-8-23-9-6-19;1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;18-16-5-6-22-17(20-16)15(11-19-22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21;7-4-3-9-11-2-1-5(8)10-6(4)11;8-6(9)5-1-3-7-4-2-5;;/h1-10,15H,11-14,16H2;5-8H,9-13H2,1-4H3;1-6,11H,7-10,12H2;1-3H;1-4,8-9H;2*1H4
• InChIKey: LHXAXCDRDWXZIF-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 212.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.93
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?

The IUPAC name of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine (CID 163741210) is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine.

What is the SMILES notation for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?

The canonical SMILES for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine is C.C.CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.Clc1ccn2ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.Clc1ccn2ncc(Br)c2n1.OB(O)c1ccncc1.c1cc(-c2ccn3ncc(-c4ccc(CN5CCOCC5)cc4)c3n2)ccn1.

What is the InChIKey of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?

The InChIKey is LHXAXCDRDWXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.C17H26BNO3.C17H17ClN4O.C6H3BrClN3.C5H6BNO2.2CH4/c1-3-18(4-2-17(1)16-26-11-13-28-14-12-26)20-15-24-27-10-7-21(25-22(20)27)19-5-8-23-9-6-19;1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;18-16-5-6-22-17(20-16)15(11-19-22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21;7-4-3-9-11-2-1-5(8)10-6(4)11;8-6(9)5-1-3-7-4-2-5;;/h1-10,15H,11-14,16H2;5-8H,9-13H2,1-4H3;1-6,11H,7-10,12H2;1-3H;1-4,8-9H;2*1H4.

What are the key properties of 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine?

3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine has a molecular weight of 1390.93 g/mol, XLogP of 10.17, 11 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine;4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;methane;pyridin-4-ylboronic acid;4-[[4-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 163741210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).