7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

C25H26N8O — CID 155679570

IUPAC7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C25H26N8O/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28)
InChIKeyNZAACJGCEQYFGV-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.24
Rot. Bonds6

About 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine

7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 155679570) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
PubChem CID155679570
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12
InChIInChI=1S/C25H26N8O/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28)
InChIKeyNZAACJGCEQYFGV-UHFFFAOYSA-N
XLogP4.24
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine (CID 155679570) is 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2cn(CCNc3ccccn3)nc12.
What is the InChIKey of 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is NZAACJGCEQYFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c26-25-24-19(16-32(31-24)13-12-28-22-5-1-3-10-27-22)18-8-7-17(15-20(18)30-25)21-9-11-29-33(21)23-6-2-4-14-34-23/h1,3,5,7-11,15-16,23H,2,4,6,12-14H2,(H2,26,30)(H,27,28).
What are the key properties of 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine?
7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 454.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(oxan-2-yl)pyrazol-3-yl]-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 155679570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).