4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

C24H25FN6O — CID 42668828

IUPAC4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4cccc(F)c4)c3c2N)cc1
InChIInChI=1S/C24H25FN6O/c1-15-10-12-30(13-11-15)24-27-21(16-4-3-5-17(25)14-16)20-22(26)31(29-23(20)28-24)18-6-8-19(32-2)9-7-18/h3-9,14-15H,10-13,26H2,1-2H3
InChIKeyBQLNBXYZNOZLGE-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.45
Rot. Bonds4

About 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine

4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668828) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668828
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCOc1ccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4cccc(F)c4)c3c2N)cc1
InChIInChI=1S/C24H25FN6O/c1-15-10-12-30(13-11-15)24-27-21(16-4-3-5-17(25)14-16)20-22(26)31(29-23(20)28-24)18-6-8-19(32-2)9-7-18/h3-9,14-15H,10-13,26H2,1-2H3
InChIKeyBQLNBXYZNOZLGE-UHFFFAOYSA-N
XLogP4.45
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.45
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-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42668828) is 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is COc1ccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4cccc(F)c4)c3c2N)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is BQLNBXYZNOZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-15-10-12-30(13-11-15)24-27-21(16-4-3-5-17(25)14-16)20-22(26)31(29-23(20)28-24)18-6-8-19(32-2)9-7-18/h3-9,14-15H,10-13,26H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 432.50 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).