3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one

C23H16N4O3 — CID 135767018

IUPAC3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+
InChIKeyKUYSCNSKYMSUDN-SDEHWINOSA-N
MW396.41 g/mol
LogP4.59
Rot. Bonds5

About 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one

3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135767018) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135767018
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+
InChIKeyKUYSCNSKYMSUDN-SDEHWINOSA-N
XLogP4.59
TPSA96.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
3-[[(E)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]amino]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 135445641
6-hydroxy-1,3-dimethyl-5-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)diazenyl]pyrimidine-2,4-dione
CID 135767021
1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione
CID 134956704
(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 136697362
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
CID 135485256
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
CID 135643063
6-[[(E)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135480120
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one (CID 135767018) is 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one is O=C(C(/N=N/c1cnc2ccccn2c1=O)=C(/O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KUYSCNSKYMSUDN-SDEHWINOSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21(16-9-3-1-4-10-16)20(22(29)17-11-5-2-6-12-17)26-25-18-15-24-19-13-7-8-14-27(19)23(18)30/h1-15,28H/b21-20-,26-25+.
What are the key properties of 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 396.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135767018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).