(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone

C20H27N7O — CID 109168658

IUPAC(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-2-24-8-10-26(11-9-24)19(28)17-4-7-21-18(16-17)25-12-14-27(15-13-25)20-22-5-3-6-23-20/h3-7,16H,2,8-15H2,1H3
InChIKeyWZFYLUFLZVMQDP-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.98
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 109168658) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID109168658
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-2-24-8-10-26(11-9-24)19(28)17-4-7-21-18(16-17)25-12-14-27(15-13-25)20-22-5-3-6-23-20/h3-7,16H,2,8-15H2,1H3
InChIKeyWZFYLUFLZVMQDP-UHFFFAOYSA-N
XLogP0.98
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254149
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone (CID 109168658) is (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone is CCN1CCN(C(=O)c2ccnc(N3CCN(c4ncccn4)CC3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is WZFYLUFLZVMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-2-24-8-10-26(11-9-24)19(28)17-4-7-21-18(16-17)25-12-14-27(15-13-25)20-22-5-3-6-23-20/h3-7,16H,2,8-15H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 381.48 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109168658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).