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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Related Compounds

Pexacerfont
CID 9884366
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
Sdccggsk-0000007.P001
CID 9604943
3-(5-Amino-7-((2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)(methyl)amino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzonitrile
CID 23540117
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
1-(5-Fluoro-2-methoxyphenyl)-4-[1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazine
CID 72547759
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939

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).