9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine

C23H22N8O — CID 53385751

IUPAC9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine
SMILESCOc1ccccc1N1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1
InChIInChI=1S/C23H22N8O/c1-32-21-5-3-2-4-20(21)29-8-10-30(11-9-29)23-24-14-19-22(27-23)31(15-25-19)17-7-6-16-13-26-28-18(16)12-17/h2-7,12-15H,8-11H2,1H3,(H,26,28)
InChIKeyWZENRDFQQNESPZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.03
Rot. Bonds4

About 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine

9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine (PubChem CID 53385751) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine
PubChem CID53385751
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine
SMILESCOc1ccccc1N1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1
InChIInChI=1S/C23H22N8O/c1-32-21-5-3-2-4-20(21)29-8-10-30(11-9-29)23-24-14-19-22(27-23)31(15-25-19)17-7-6-16-13-26-28-18(16)12-17/h2-7,12-15H,8-11H2,1H3,(H,26,28)
InChIKeyWZENRDFQQNESPZ-UHFFFAOYSA-N
XLogP3.03
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[4-[9-(1H-indazol-6-yl)purin-2-yl]piperazin-1-yl]acetate
CID 67411211
methyl 1-[9-(1H-indazol-6-yl)purin-2-yl]piperidine-4-carboxylate
CID 53385951
9-(1H-indazol-6-yl)-N,N-dimethylpurin-2-amine
CID 53385610
9-(1H-indazol-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]purin-2-amine
CID 67408968
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 51491376
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine
CID 67410123
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577

Frequently Asked Questions

What is the IUPAC name of 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine?
The IUPAC name of 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine (CID 53385751) is 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine.
What is the SMILES notation for 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine?
The canonical SMILES for 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine is COc1ccccc1N1CCN(c2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)CC1.
What is the InChIKey of 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine?
The InChIKey is WZENRDFQQNESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-32-21-5-3-2-4-20(21)29-8-10-30(11-9-29)23-24-14-19-22(27-23)31(15-25-19)17-7-6-16-13-26-28-18(16)12-17/h2-7,12-15H,8-11H2,1H3,(H,26,28).
What are the key properties of 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine?
9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine has a molecular weight of 426.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine is sourced from PubChem (CID 53385751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).