8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine

C21H26N8O — CID 134473823

IUPAC8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCOC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C21H26N8O/c22-16-5-12-30-21(16)6-10-28(11-7-21)17-13-24-18-19(25-17)26-27-20(18)29-9-2-3-14-15(29)4-1-8-23-14/h1,4,8,13,16H,2-3,5-7,9-12,22H2,(H,25,26,27)
InChIKeyJVJOIIDZWGPJJX-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.92
Rot. Bonds2

About 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine

8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 134473823) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID134473823
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
SMILESNC1CCOC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C21H26N8O/c22-16-5-12-30-21(16)6-10-28(11-7-21)17-13-24-18-19(25-17)26-27-20(18)29-9-2-3-14-15(29)4-1-8-23-14/h1,4,8,13,16H,2-3,5-7,9-12,22H2,(H,25,26,27)
InChIKeyJVJOIIDZWGPJJX-UHFFFAOYSA-N
XLogP1.92
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine (CID 134473823) is 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine is NC1CCOC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2.
What is the InChIKey of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is JVJOIIDZWGPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c22-16-5-12-30-21(16)6-10-28(11-7-21)17-13-24-18-19(25-17)26-27-20(18)29-9-2-3-14-15(29)4-1-8-23-14/h1,4,8,13,16H,2-3,5-7,9-12,22H2,(H,25,26,27).
What are the key properties of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine?
8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 406.49 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 134473823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).