4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine

C22H21FN6O — CID 42668905

IUPAC4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(-n2nc3nc(N4CCOCC4)nc(-c4cccc(F)c4)c3c2N)c1
InChIInChI=1S/C22H21FN6O/c1-14-4-2-7-17(12-14)29-20(24)18-19(15-5-3-6-16(23)13-15)25-22(26-21(18)27-29)28-8-10-30-11-9-28/h2-7,12-13H,8-11,24H2,1H3
InChIKeyKFFZPERJMYHIFP-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.35
Rot. Bonds3

About 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine

4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668905) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668905
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(-n2nc3nc(N4CCOCC4)nc(-c4cccc(F)c4)c3c2N)c1
InChIInChI=1S/C22H21FN6O/c1-14-4-2-7-17(12-14)29-20(24)18-19(15-5-3-6-16(23)13-15)25-22(26-21(18)27-29)28-8-10-30-11-9-28/h2-7,12-13H,8-11,24H2,1H3
InChIKeyKFFZPERJMYHIFP-UHFFFAOYSA-N
XLogP3.35
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine (CID 42668905) is 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine is Cc1cccc(-n2nc3nc(N4CCOCC4)nc(-c4cccc(F)c4)c3c2N)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is KFFZPERJMYHIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-14-4-2-7-17(12-14)29-20(24)18-19(15-5-3-6-16(23)13-15)25-22(26-21(18)27-29)28-8-10-30-11-9-28/h2-7,12-13H,8-11,24H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 404.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).