5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H12FN5O — CID 9462122

IUPAC5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1F
InChIInChI=1S/C18H12FN5O/c19-16-9-5-4-6-13(16)10-21-23-12-20-17-15(18(23)25)11-22-24(17)14-7-2-1-3-8-14/h1-12H/b21-10-
InChIKeySFMGPEMPMXWNLE-FBHDLOMBSA-N
MW333.33 g/mol
LogP2.60
Rot. Bonds3

About 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 9462122) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID9462122
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1F
InChIInChI=1S/C18H12FN5O/c19-16-9-5-4-6-13(16)10-21-23-12-20-17-15(18(23)25)11-22-24(17)14-7-2-1-3-8-14/h1-12H/b21-10-
InChIKeySFMGPEMPMXWNLE-FBHDLOMBSA-N
XLogP2.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.60
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

1-phenyl-5-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrazolo[5,4-d]pyrimidin-4-one
CID 9462057
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)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 9462088
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-(2-fluorophenoxy)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 17446572
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
5-[(2-chloro-6-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7518876
5-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 59355040
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 9462122) is 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccccc1F.
What is the InChIKey of 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SFMGPEMPMXWNLE-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-16-9-5-4-6-13(16)10-21-23-12-20-17-15(18(23)25)11-22-24(17)14-7-2-1-3-8-14/h1-12H/b21-10-.
What are the key properties of 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 333.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2-fluorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 9462122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).