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

C25H31N7O — CID 70695106

IUPAC1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C4CCN(CCCN)CC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C25H31N7O/c1-2-33-21-7-6-17-14-19(5-4-18(17)15-21)23-22-24(27)28-16-29-25(22)32(30-23)20-8-12-31(13-9-20)11-3-10-26/h4-7,14-16,20H,2-3,8-13,26H2,1H3,(H2,27,28,29)
InChIKeyUAAQWLWCHSPTEB-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.61
Rot. Bonds7

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

1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70695106) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70695106
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C4CCN(CCCN)CC4)c4ncnc(N)c34)ccc2c1
InChIInChI=1S/C25H31N7O/c1-2-33-21-7-6-17-14-19(5-4-18(17)15-21)23-22-24(27)28-16-29-25(22)32(30-23)20-8-12-31(13-9-20)11-3-10-26/h4-7,14-16,20H,2-3,8-13,26H2,1H3,(H2,27,28,29)
InChIKeyUAAQWLWCHSPTEB-UHFFFAOYSA-N
XLogP3.61
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 70695106) is 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc2cc(-c3nn(C4CCN(CCCN)CC4)c4ncnc(N)c34)ccc2c1.
What is the InChIKey of 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UAAQWLWCHSPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-2-33-21-7-6-17-14-19(5-4-18(17)15-21)23-22-24(27)28-16-29-25(22)32(30-23)20-8-12-31(13-9-20)11-3-10-26/h4-7,14-16,20H,2-3,8-13,26H2,1H3,(H2,27,28,29).
What are the key properties of 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 445.57 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)piperidin-4-yl]-3-(6-ethoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70695106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).