2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol

C74H64BrCl2N25O2 — CID 165023996

About 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol

2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol (PubChem CID 165023996) has the molecular formula C74H64BrCl2N25O2 and a molecular weight of 1486.31 g/mol. Its IUPAC name is 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol.

Molecular Properties

• Compound Name: 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol
• PubChem CID: 165023996
• Molecular Formula: C74H64BrCl2N25O2
• Molecular Weight: 1486.31 g/mol
• Exact Mass: 1483.42
• IUPAC Name: 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol
• SMILES: BrCc1ccccn1.Clc1nc(-n2ncc3ccccc32)c2[nH]cnc2n1.Clc1nc(-n2ncc3ccccc32)c2ncn(Cc3ccccn3)c2n1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(Cc5ccccn5)c4n3)CC2)cc1.Oc1ccc(N2CCNCC2)cc1
• InChI: InChI=1S/C28H25N9O.C18H12ClN7.C12H7ClN6.C10H14N2O.C6H6BrN/c38-23-10-8-22(9-11-23)34-13-15-35(16-14-34)28-32-26-25(30-19-36(26)18-21-6-3-4-12-29-21)27(33-28)37-24-7-2-1-5-20(24)17-31-37;19-18-23-16-15(21-11-25(16)10-13-6-3-4-8-20-13)17(24-18)26-14-7-2-1-5-12(14)9-22-26;13-12-17-10-9(14-6-15-10)11(18-12)19-8-4-2-1-3-7(8)5-16-19;13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;7-5-6-3-1-2-4-8-6/h1-12,17,19,38H,13-16,18H2;1-9,11H,10H2;1-6H,(H,14,15,17,18);1-4,11,13H,5-8H2;1-4H,5H2
• InChIKey: LPDQRVAWFCHLOO-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 296.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1486.31
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol?

The IUPAC name of 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol (CID 165023996) is 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol.

What is the SMILES notation for 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol?

The canonical SMILES for 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol is BrCc1ccccn1.Clc1nc(-n2ncc3ccccc32)c2[nH]cnc2n1.Clc1nc(-n2ncc3ccccc32)c2ncn(Cc3ccccn3)c2n1.Oc1ccc(N2CCN(c3nc(-n4ncc5ccccc54)c4ncn(Cc5ccccn5)c4n3)CC2)cc1.Oc1ccc(N2CCNCC2)cc1.

What is the InChIKey of 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol?

The InChIKey is LPDQRVAWFCHLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9O.C18H12ClN7.C12H7ClN6.C10H14N2O.C6H6BrN/c38-23-10-8-22(9-11-23)34-13-15-35(16-14-34)28-32-26-25(30-19-36(26)18-21-6-3-4-12-29-21)27(33-28)37-24-7-2-1-5-20(24)17-31-37;19-18-23-16-15(21-11-25(16)10-13-6-3-4-8-20-13)17(24-18)26-14-7-2-1-5-12(14)9-22-26;13-12-17-10-9(14-6-15-10)11(18-12)19-8-4-2-1-3-7(8)5-16-19;13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;7-5-6-3-1-2-4-8-6/h1-12,17,19,38H,13-16,18H2;1-9,11H,10H2;1-6H,(H,14,15,17,18);1-4,11,13H,5-8H2;1-4H,5H2.

What are the key properties of 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol?

2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol has a molecular weight of 1486.31 g/mol, XLogP of 12.03, 11 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)pyridine;2-chloro-6-indazol-1-yl-7H-purine;2-chloro-6-indazol-1-yl-9-(pyridin-2-ylmethyl)purine;4-[4-[6-indazol-1-yl-9-(pyridin-2-ylmethyl)purin-2-yl]piperazin-1-yl]phenol;4-piperazin-1-ylphenol is sourced from PubChem (CID 165023996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).