4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one

C24H25N9O2 — CID 155102726

IUPAC4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one
SMILESO=C1CN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)CCN1
InChIInChI=1S/C24H25N9O2/c34-19-3-1-17(2-4-19)30-11-13-31(14-12-30)24-28-22(32-10-9-26-20(35)15-32)21-23(29-24)33(16-27-21)18-5-7-25-8-6-18/h1-8,16,34H,9-15H2,(H,26,35)
InChIKeyUEWCIZRXHAOFJV-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.18
Rot. Bonds4

About 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one

4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one (PubChem CID 155102726) has the molecular formula C24H25N9O2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one
PubChem CID155102726
Molecular FormulaC24H25N9O2
Molecular Weight471.53 g/mol
Exact Mass471.21
IUPAC Name4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one
SMILESO=C1CN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)CCN1
InChIInChI=1S/C24H25N9O2/c34-19-3-1-17(2-4-19)30-11-13-31(14-12-30)24-28-22(32-10-9-26-20(35)15-32)21-23(29-24)33(16-27-21)18-5-7-25-8-6-18/h1-8,16,34H,9-15H2,(H,26,35)
InChIKeyUEWCIZRXHAOFJV-UHFFFAOYSA-N
XLogP1.18
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one?
The IUPAC name of 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one (CID 155102726) is 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one?
The canonical SMILES for 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one is O=C1CN(c2nc(N3CCN(c4ccc(O)cc4)CC3)nc3c2ncn3-c2ccncc2)CCN1.
What is the InChIKey of 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one?
The InChIKey is UEWCIZRXHAOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O2/c34-19-3-1-17(2-4-19)30-11-13-31(14-12-30)24-28-22(32-10-9-26-20(35)15-32)21-23(29-24)33(16-27-21)18-5-7-25-8-6-18/h1-8,16,34H,9-15H2,(H,26,35).
What are the key properties of 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one?
4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one has a molecular weight of 471.53 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]piperazin-2-one is sourced from PubChem (CID 155102726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).