(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

C20H27N7O — CID 109230456

IUPAC(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-2-24-6-8-26(9-7-24)19(28)17-14-18(16-21-15-17)25-10-12-27(13-11-25)20-22-4-3-5-23-20/h3-5,14-16H,2,6-13H2,1H3
InChIKeyHLOONOPFHUJTCV-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.98
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109230456) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109230456
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1
InChIInChI=1S/C20H27N7O/c1-2-24-6-8-26(9-7-24)19(28)17-14-18(16-21-15-17)25-10-12-27(13-11-25)20-22-4-3-5-23-20/h3-5,14-16H,2,6-13H2,1H3
InChIKeyHLOONOPFHUJTCV-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)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
1-[4-[2-(4-ethylpiperazin-1-yl)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254149
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238689
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
[5-(4-chloroanilino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238703

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109230456) is (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is HLOONOPFHUJTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-2-24-6-8-26(9-7-24)19(28)17-14-18(16-21-15-17)25-10-12-27(13-11-25)20-22-4-3-5-23-20/h3-5,14-16H,2,6-13H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-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)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109230456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).