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

C19H16FN5 — CID 7205340

IUPAC1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN5/c1-13-2-4-14(5-3-13)10-21-18-17-11-24-25(19(17)23-12-22-18)16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyPSYQMVBUDVIWSW-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.88
Rot. Bonds4

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

1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7205340) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7205340
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN5/c1-13-2-4-14(5-3-13)10-21-18-17-11-24-25(19(17)23-12-22-18)16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyPSYQMVBUDVIWSW-UHFFFAOYSA-N
XLogP3.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 5213859
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86809015
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
4-[[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzene-1,2-diol
CID 70986581
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63022262

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 7205340) is 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PSYQMVBUDVIWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-13-2-4-14(5-3-13)10-21-18-17-11-24-25(19(17)23-12-22-18)16-8-6-15(20)7-9-16/h2-9,11-12H,10H2,1H3,(H,21,22,23).
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7205340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).