4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid

C23H23N5O5 — CID 44783189

IUPAC4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCN(c4ccccc4)CC3)cccn2c1=O
InChIInChI=1S/C23H23N5O5/c29-19(8-9-20(30)31)25-18-15-24-21-17(7-4-10-28(21)23(18)33)22(32)27-13-11-26(12-14-27)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14H2,(H,25,29)(H,30,31)
InChIKeyWPSXSEBHRDBUQI-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.46
Rot. Bonds6

About 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid

4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid (PubChem CID 44783189) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid
PubChem CID44783189
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCN(c4ccccc4)CC3)cccn2c1=O
InChIInChI=1S/C23H23N5O5/c29-19(8-9-20(30)31)25-18-15-24-21-17(7-4-10-28(21)23(18)33)22(32)27-13-11-26(12-14-27)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14H2,(H,25,29)(H,30,31)
InChIKeyWPSXSEBHRDBUQI-UHFFFAOYSA-N
XLogP1.46
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid with MolForge

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Related Compounds

4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid
CID 44782969
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
6-(4-phenylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 3304664
N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
CID 44782977
4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
CID 44782939
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294
3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
4-(2,4-dichlorophenoxy)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256499
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid?
The IUPAC name of 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid (CID 44783189) is 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid is O=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCN(c4ccccc4)CC3)cccn2c1=O.
What is the InChIKey of 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid?
The InChIKey is WPSXSEBHRDBUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c29-19(8-9-20(30)31)25-18-15-24-21-17(7-4-10-28(21)23(18)33)22(32)27-13-11-26(12-14-27)16-5-2-1-3-6-16/h1-7,10,15H,8-9,11-14H2,(H,25,29)(H,30,31).
What are the key properties of 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid?
4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid has a molecular weight of 449.47 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid is sourced from PubChem (CID 44783189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).