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

C20H20N4O2 — CID 962221

IUPAC7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-15-7-8-18-21-19(17(14-25)20(26)24(18)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYTWBZFMOWAOPON-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.14
Rot. Bonds3

About 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde

7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 962221) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID962221
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C20H20N4O2/c1-15-7-8-18-21-19(17(14-25)20(26)24(18)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYTWBZFMOWAOPON-UHFFFAOYSA-N
XLogP2.14
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

{[4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
CID 1840858
7-Methyl-4-oxo-2-phenylamino-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 680824
2-Anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2424851
(2E)-2-cyano-N-methyl-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 1832000
{[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
CID 1833531
(E)-2-cyano-N-ethyl-3-[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 1834567
ethyl (2E)-2-cyano-3-[4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 1834626
(2E)-2-cyano-3-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 1836683
7,9-Dichloro-8-methyl-2-[(4-phenylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2460244
4-Oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772176
9-Methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772178
2-[4-(2-Fluorophenyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772191

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 962221) is 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=O)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is YTWBZFMOWAOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-7-8-18-21-19(17(14-25)20(26)24(18)13-15)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 348.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 962221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).