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

C20H20N4O2 — CID 2772178

IUPAC9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C20H20N4O2/c1-15-6-5-9-24-18(15)21-19(17(14-25)20(24)26)23-12-10-22(11-13-23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3
InChIKeyPLTJDNHSYMFJHH-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.14
Rot. Bonds3

About 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde

9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2772178) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2772178
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C20H20N4O2/c1-15-6-5-9-24-18(15)21-19(17(14-25)20(24)26)23-12-10-22(11-13-23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3
InChIKeyPLTJDNHSYMFJHH-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

Tgx-221
CID 9907093
(5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 51601993
Ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate
CID 1019679
{[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
7-Methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 962221
(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-[9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 1835877
(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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2772178) is 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4)CC3)nc12.
What is the InChIKey of 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is PLTJDNHSYMFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-6-5-9-24-18(15)21-19(17(14-25)20(24)26)23-12-10-22(11-13-23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde?
9-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 9-methyl-4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2772178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).