1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16FN5O — CID 110434966

IUPAC1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1ncnc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C19H16FN5O/c1-12-6-7-17(26-2)16(8-12)24-18-15-10-23-25(19(15)22-11-21-18)14-5-3-4-13(20)9-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyHPXKVKVKSDLMFZ-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.02
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110434966) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110434966
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1ncnc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C19H16FN5O/c1-12-6-7-17(26-2)16(8-12)24-18-15-10-23-25(19(15)22-11-21-18)14-5-3-4-13(20)9-14/h3-11H,1-2H3,(H,21,22,24)
InChIKeyHPXKVKVKSDLMFZ-UHFFFAOYSA-N
XLogP4.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017606
4-methoxy-N-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400175
4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539459
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476106
N-(2,3-dimethylphenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4055936
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110434966) is 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(C)cc1Nc1ncnc2c1cnn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HPXKVKVKSDLMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-12-6-7-17(26-2)16(8-12)24-18-15-10-23-25(19(15)22-11-21-18)14-5-3-4-13(20)9-14/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110434966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).