5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C19H15N5O3 — CID 135749561

IUPAC5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(/C=N/n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C19H15N5O3/c1-27-17-9-13(7-8-16(17)25)10-21-23-12-20-18-15(19(23)26)11-22-24(18)14-5-3-2-4-6-14/h2-12,25H,1H3/b21-10+
InChIKeyOJYXTEFFCXZLDK-UFFVCSGVSA-N
MW361.36 g/mol
LogP2.18
Rot. Bonds4

About 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135749561) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135749561
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cc(/C=N/n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1O
InChIInChI=1S/C19H15N5O3/c1-27-17-9-13(7-8-16(17)25)10-21-23-12-20-18-15(19(23)26)11-22-24(18)14-5-3-2-4-6-14/h2-12,25H,1H3/b21-10+
InChIKeyOJYXTEFFCXZLDK-UFFVCSGVSA-N
XLogP2.18
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]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

5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9461880
5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462088
5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462122
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
CID 135650350
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
2,3-dimethoxy-5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 72636247
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-one
CID 137283573
4-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenol
CID 136801945

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 135749561) is 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1cc(/C=N/n2cnc3c(cnn3-c3ccccc3)c2=O)ccc1O.
What is the InChIKey of 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OJYXTEFFCXZLDK-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-27-17-9-13(7-8-16(17)25)10-21-23-12-20-18-15(19(23)26)11-22-24(18)14-5-3-2-4-6-14/h2-12,25H,1H3/b21-10+.
What are the key properties of 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 361.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135749561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).