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

C24H28N6O — CID 70686760

IUPAC3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(CCC4CCNCC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C24H28N6O/c1-2-31-20-6-5-17-13-19(4-3-18(17)14-20)22-21-23(25)27-15-28-24(21)30(29-22)12-9-16-7-10-26-11-8-16/h3-6,13-16,26H,2,7-12H2,1H3,(H2,25,27,28)
InChIKeyHNFQDFJWGOHWDP-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.02
Rot. Bonds6

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

3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70686760) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70686760
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(CCC4CCNCC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C24H28N6O/c1-2-31-20-6-5-17-13-19(4-3-18(17)14-20)22-21-23(25)27-15-28-24(21)30(29-22)12-9-16-7-10-26-11-8-16/h3-6,13-16,26H,2,7-12H2,1H3,(H2,25,27,28)
InChIKeyHNFQDFJWGOHWDP-UHFFFAOYSA-N
XLogP4.02
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 70686760) is 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc2cc(-c3nn(CCC4CCNCC4)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HNFQDFJWGOHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-31-20-6-5-17-13-19(4-3-18(17)14-20)22-21-23(25)27-15-28-24(21)30(29-22)12-9-16-7-10-26-11-8-16/h3-6,13-16,26H,2,7-12H2,1H3,(H2,25,27,28).
What are the key properties of 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70686760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).