3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C25H30N6O — CID 53344914

IUPAC3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)COc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)
InChIKeyPHSBLNQTZKZQLY-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.26
Rot. Bonds6

About 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 53344914) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID53344914
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)COc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29)
InChIKeyPHSBLNQTZKZQLY-UHFFFAOYSA-N
XLogP4.26
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 53344914) is 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)COc1ccc2cc(-c3nn(CC4CCNCC4)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PHSBLNQTZKZQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)14-32-21-6-5-18-11-20(4-3-19(18)12-21)23-22-24(26)28-15-29-25(22)31(30-23)13-17-7-9-27-10-8-17/h3-6,11-12,15-17,27H,7-10,13-14H2,1-2H3,(H2,26,28,29).
What are the key properties of 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 430.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpropoxy)naphthalen-2-yl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 53344914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).