4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde

C19H18N4O2 — CID 2772176

IUPAC4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O
InChIInChI=1S/C19H18N4O2/c24-14-16-18(20-17-8-4-5-9-23(17)19(16)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyVDONZZNIGLJOJG-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.83
Rot. Bonds3

About 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde

4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2772176) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2772176
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O
InChIInChI=1S/C19H18N4O2/c24-14-16-18(20-17-8-4-5-9-23(17)19(16)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyVDONZZNIGLJOJG-UHFFFAOYSA-N
XLogP1.83
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2772176) is 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O.
What is the InChIKey of 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is VDONZZNIGLJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-14-16-18(20-17-8-4-5-9-23(17)19(16)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2.
What are the key properties of 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 334.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2772176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).