5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C21H17N5O — CID 9462088

IUPAC5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(/C=N\n1cnc2c(cnn2-c2ccccc2)c1=O)=C\c1ccccc1
InChIInChI=1S/C21H17N5O/c1-16(12-17-8-4-2-5-9-17)13-23-25-15-22-20-19(21(25)27)14-24-26(20)18-10-6-3-7-11-18/h2-15H,1H3/b16-12+,23-13-
InChIKeyUSKJNDLFQHCMCI-RYMQJFMGSA-N
MW355.40 g/mol
LogP3.52
Rot. Bonds4

About 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 9462088) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID9462088
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(/C=N\n1cnc2c(cnn2-c2ccccc2)c1=O)=C\c1ccccc1
InChIInChI=1S/C21H17N5O/c1-16(12-17-8-4-2-5-9-17)13-23-25-15-22-20-19(21(25)27)14-24-26(20)18-10-6-3-7-11-18/h2-15H,1H3/b16-12+,23-13-
InChIKeyUSKJNDLFQHCMCI-RYMQJFMGSA-N
XLogP3.52
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749570
5-[(Z)-(4-butoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462061
5-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 135749561
5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462122
1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
5-[(Z)-(3-butoxy-4-methoxyphenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9461880
1-phenyl-5-pyrrol-1-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 2387016
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
5-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 59355040
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylprop-2-enamide
CID 71962451

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 9462088) is 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CC(/C=N\n1cnc2c(cnn2-c2ccccc2)c1=O)=C\c1ccccc1.
What is the InChIKey of 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is USKJNDLFQHCMCI-RYMQJFMGSA-N. The full InChI is InChI=1S/C21H17N5O/c1-16(12-17-8-4-2-5-9-17)13-23-25-15-22-20-19(21(25)27)14-24-26(20)18-10-6-3-7-11-18/h2-15H,1H3/b16-12+,23-13-.
What are the key properties of 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 355.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 9462088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).