4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde

C19H23N7O2 — CID 109254495

IUPAC4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncc(C(=O)N3CCN(c4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C19H23N7O2/c27-15-23-5-7-26(8-6-23)19-21-13-16(14-22-19)18(28)25-11-9-24(10-12-25)17-3-1-2-4-20-17/h1-4,13-15H,5-12H2
InChIKeySIJACEUDTVLEIJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.11
Rot. Bonds4

About 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde

4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde (PubChem CID 109254495) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
PubChem CID109254495
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncc(C(=O)N3CCN(c4ccccn4)CC3)cn2)CC1
InChIInChI=1S/C19H23N7O2/c27-15-23-5-7-26(8-6-23)19-21-13-16(14-22-19)18(28)25-11-9-24(10-12-25)17-3-1-2-4-20-17/h1-4,13-15H,5-12H2
InChIKeySIJACEUDTVLEIJ-UHFFFAOYSA-N
XLogP0.11
TPSA85.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186951
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
(3-methylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262221
4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278769
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde (CID 109254495) is 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2ncc(C(=O)N3CCN(c4ccccn4)CC3)cn2)CC1.
What is the InChIKey of 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?
The InChIKey is SIJACEUDTVLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-15-23-5-7-26(8-6-23)19-21-13-16(14-22-19)18(28)25-11-9-24(10-12-25)17-3-1-2-4-20-17/h1-4,13-15H,5-12H2.
What are the key properties of 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde?
4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde has a molecular weight of 381.44 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109254495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).