[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C24H26N8O2 — CID 3242633

IUPAC[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H26N8O2/c33-21(29-10-14-31(15-11-29)23-25-6-2-7-26-23)19-4-1-5-20(18-19)22(34)30-12-16-32(17-13-30)24-27-8-3-9-28-24/h1-9,18H,10-17H2
InChIKeyACJFARJXYDXLBH-UHFFFAOYSA-N
MW458.53 g/mol
LogP1.19
Rot. Bonds4

About [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 3242633) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID3242633
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H26N8O2/c33-21(29-10-14-31(15-11-29)23-25-6-2-7-26-23)19-4-1-5-20(18-19)22(34)30-12-16-32(17-13-30)24-27-8-3-9-28-24/h1-9,18H,10-17H2
InChIKeyACJFARJXYDXLBH-UHFFFAOYSA-N
XLogP1.19
TPSA98.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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 [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 3242633) is [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ACJFARJXYDXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c33-21(29-10-14-31(15-11-29)23-25-6-2-7-26-23)19-4-1-5-20(18-19)22(34)30-12-16-32(17-13-30)24-27-8-3-9-28-24/h1-9,18H,10-17H2.
What are the key properties of [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 458.53 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3242633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).