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

C19H17FN4O2 — CID 2985739

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O
InChIInChI=1S/C19H17FN4O2/c20-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18-14(13-25)19(26)24-8-4-3-7-17(24)21-18/h1-8,13H,9-12H2
InChIKeyLCIHKSVOASGEEH-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.97
Rot. Bonds3

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2985739) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2985739
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O
InChIInChI=1S/C19H17FN4O2/c20-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18-14(13-25)19(26)24-8-4-3-7-17(24)21-18/h1-8,13H,9-12H2
InChIKeyLCIHKSVOASGEEH-UHFFFAOYSA-N
XLogP1.97
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.97
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 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2985739) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(N2CCN(c3ccccc3F)CC2)nc2ccccn2c1=O.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LCIHKSVOASGEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-5-1-2-6-16(15)22-9-11-23(12-10-22)18-14(13-25)19(26)24-8-4-3-7-17(24)21-18/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 352.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2985739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).