2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine

C26H34N8O — CID 135388902

IUPAC2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine
SMILESNC1CCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)C2
InChIInChI=1S/C26H34N8O/c27-20-8-3-10-26(20)11-14-32(17-26)21-16-29-23-24(30-21)34(22-9-1-2-15-35-22)31-25(23)33-13-5-6-18-19(33)7-4-12-28-18/h4,7,12,16,20,22H,1-3,5-6,8-11,13-15,17,27H2
InChIKeyNEOPIUADTMVVPT-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.71
Rot. Bonds3

About 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine

2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine (PubChem CID 135388902) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine
PubChem CID135388902
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine
SMILESNC1CCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)C2
InChIInChI=1S/C26H34N8O/c27-20-8-3-10-26(20)11-14-32(17-26)21-16-29-23-24(30-21)34(22-9-1-2-15-35-22)31-25(23)33-13-5-6-18-19(33)7-4-12-28-18/h4,7,12,16,20,22H,1-3,5-6,8-11,13-15,17,27H2
InChIKeyNEOPIUADTMVVPT-UHFFFAOYSA-N
XLogP3.71
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine?
The IUPAC name of 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine (CID 135388902) is 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine is NC1CCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)C2.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine?
The InChIKey is NEOPIUADTMVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c27-20-8-3-10-26(20)11-14-32(17-26)21-16-29-23-24(30-21)34(22-9-1-2-15-35-22)31-25(23)33-13-5-6-18-19(33)7-4-12-28-18/h4,7,12,16,20,22H,1-3,5-6,8-11,13-15,17,27H2.
What are the key properties of 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine?
2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine has a molecular weight of 474.61 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 135388902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).