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

C23H24FN7 — CID 42668916

IUPAC4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(-n2nc3nc(N4CCN(C)CC4)nc(-c4cccc(F)c4)c3c2N)c1
InChIInChI=1S/C23H24FN7/c1-15-5-3-8-18(13-15)31-21(25)19-20(16-6-4-7-17(24)14-16)26-23(27-22(19)28-31)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,25H2,1-2H3
InChIKeyYQWJADZTNSZFRI-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.26
Rot. Bonds3

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

4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 42668916) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID42668916
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC Name4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1cccc(-n2nc3nc(N4CCN(C)CC4)nc(-c4cccc(F)c4)c3c2N)c1
InChIInChI=1S/C23H24FN7/c1-15-5-3-8-18(13-15)31-21(25)19-20(16-6-4-7-17(24)14-16)26-23(27-22(19)28-31)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,25H2,1-2H3
InChIKeyYQWJADZTNSZFRI-UHFFFAOYSA-N
XLogP3.26
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.26
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-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine (CID 42668916) is 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is Cc1cccc(-n2nc3nc(N4CCN(C)CC4)nc(-c4cccc(F)c4)c3c2N)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is YQWJADZTNSZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-15-5-3-8-18(13-15)31-21(25)19-20(16-6-4-7-17(24)14-16)26-23(27-22(19)28-31)30-11-9-29(2)10-12-30/h3-8,13-14H,9-12,25H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine?
4-(3-fluorophenyl)-2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 417.49 g/mol, XLogP of 3.26, 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-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 42668916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).