2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C20H20N4O3 — CID 1050186

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C20H20N4O3/c1-27-17-7-3-2-6-16(17)22-10-12-23(13-11-22)19-15(14-25)20(26)24-9-5-4-8-18(24)21-19/h2-9,14H,10-13H2,1H3
InChIKeyIHZYZBLXXGNDMS-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 1050186) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID1050186
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C20H20N4O3/c1-27-17-7-3-2-6-16(17)22-10-12-23(13-11-22)19-15(14-25)20(26)24-9-5-4-8-18(24)21-19/h2-9,14H,10-13H2,1H3
InChIKeyIHZYZBLXXGNDMS-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 1050186) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is COc1ccccc1N1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is IHZYZBLXXGNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-7-3-2-6-16(17)22-10-12-23(13-11-22)19-15(14-25)20(26)24-9-5-4-8-18(24)21-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 364.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 1050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).