4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride

C24H25ClN8O2 — CID 155103012

IUPAC4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride
SMILESCl.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21
InChIInChI=1S/C24H24N8O2.ClH/c33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;/h1-8,15-16,33-34H,9-14H2;1H
InChIKeySELFJPBPGYFJDH-UHFFFAOYSA-N
MW492.97 g/mol
LogP2.61
Rot. Bonds5

About 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride

4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride (PubChem CID 155103012) has the molecular formula C24H25ClN8O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride
PubChem CID155103012
Molecular FormulaC24H25ClN8O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC Name4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride
SMILESCl.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21
InChIInChI=1S/C24H24N8O2.ClH/c33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;/h1-8,15-16,33-34H,9-14H2;1H
InChIKeySELFJPBPGYFJDH-UHFFFAOYSA-N
XLogP2.61
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride?
The IUPAC name of 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride (CID 155103012) is 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride?
The canonical SMILES for 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride is Cl.OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCN(c4ccc(O)cc4)CC3)nc21.
What is the InChIKey of 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride?
The InChIKey is SELFJPBPGYFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2.ClH/c33-14-13-31-16-25-21-22(31)27-24(28-23(21)32-20-4-2-1-3-17(20)15-26-32)30-11-9-29(10-12-30)18-5-7-19(34)8-6-18;/h1-8,15-16,33-34H,9-14H2;1H.
What are the key properties of 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride?
4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride has a molecular weight of 492.97 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperazin-1-yl]phenol;hydrochloride is sourced from PubChem (CID 155103012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).