N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H15FN6O — CID 53239948

IUPACN-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-n2ncc3c(NN=Cc4cccc(F)c4)ncnc32)c1
InChIInChI=1S/C19H15FN6O/c1-27-16-7-3-6-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-4-2-5-14(20)8-13/h2-12H,1H3,(H,21,22,25)
InChIKeyFYLWAIJQFCKHDH-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.41
Rot. Bonds5

About N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53239948) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53239948
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-n2ncc3c(NN=Cc4cccc(F)c4)ncnc32)c1
InChIInChI=1S/C19H15FN6O/c1-27-16-7-3-6-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-4-2-5-14(20)8-13/h2-12H,1H3,(H,21,22,25)
InChIKeyFYLWAIJQFCKHDH-UHFFFAOYSA-N
XLogP3.41
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Sgc-clk-1
CID 6539389
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
3-((3-Methoxyphenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327830
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 53239948) is N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(-n2ncc3c(NN=Cc4cccc(F)c4)ncnc32)c1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FYLWAIJQFCKHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-27-16-7-3-6-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-4-2-5-14(20)8-13/h2-12H,1H3,(H,21,22,25).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 362.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53239948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).