3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C25H30N6O — CID 70697147

IUPAC3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCN1CCC(n2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc32)CC1
InChIInChI=1S/C25H30N6O/c1-3-11-30-12-9-20(10-13-30)31-25-22(24(26)27-16-28-25)23(29-31)19-6-5-18-15-21(32-4-2)8-7-17(18)14-19/h5-8,14-16,20H,3-4,9-13H2,1-2H3,(H2,26,27,28)
InChIKeyPPXYWUHAYDYRIY-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.67
Rot. Bonds6

About 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70697147) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70697147
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCN1CCC(n2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc32)CC1
InChIInChI=1S/C25H30N6O/c1-3-11-30-12-9-20(10-13-30)31-25-22(24(26)27-16-28-25)23(29-31)19-6-5-18-15-21(32-4-2)8-7-17(18)14-19/h5-8,14-16,20H,3-4,9-13H2,1-2H3,(H2,26,27,28)
InChIKeyPPXYWUHAYDYRIY-UHFFFAOYSA-N
XLogP4.67
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 70697147) is 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCN1CCC(n2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc32)CC1.
What is the InChIKey of 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PPXYWUHAYDYRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-3-11-30-12-9-20(10-13-30)31-25-22(24(26)27-16-28-25)23(29-31)19-6-5-18-15-21(32-4-2)8-7-17(18)14-19/h5-8,14-16,20H,3-4,9-13H2,1-2H3,(H2,26,27,28).
What are the key properties of 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 430.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxynaphthalen-2-yl)-1-(1-propylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70697147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).