8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine

C26H33N9O — CID 135389009

IUPAC8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine
SMILESNC1=NCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)CC2
InChIInChI=1S/C26H33N9O/c27-25-26(8-12-29-25)9-14-33(15-10-26)20-17-30-22-23(31-20)35(21-7-1-2-16-36-21)32-24(22)34-13-4-5-18-19(34)6-3-11-28-18/h3,6,11,17,21H,1-2,4-5,7-10,12-16H2,(H2,27,29)
InChIKeyYPTZRPRZJWBSBL-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.35
Rot. Bonds3

About 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine

8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine (PubChem CID 135389009) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine.

Molecular Properties

Compound Name8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine
PubChem CID135389009
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC Name8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine
SMILESNC1=NCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)CC2
InChIInChI=1S/C26H33N9O/c27-25-26(8-12-29-25)9-14-33(15-10-26)20-17-30-22-23(31-20)35(21-7-1-2-16-36-21)32-24(22)34-13-4-5-18-19(34)6-3-11-28-18/h3,6,11,17,21H,1-2,4-5,7-10,12-16H2,(H2,27,29)
InChIKeyYPTZRPRZJWBSBL-UHFFFAOYSA-N
XLogP3.35
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-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)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine?
The IUPAC name of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine (CID 135389009) is 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine.
What is the SMILES notation for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine?
The canonical SMILES for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine is NC1=NCCC12CCN(c1cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n1)CC2.
What is the InChIKey of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine?
The InChIKey is YPTZRPRZJWBSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c27-25-26(8-12-29-25)9-14-33(15-10-26)20-17-30-22-23(31-20)35(21-7-1-2-16-36-21)32-24(22)34-13-4-5-18-19(34)6-3-11-28-18/h3,6,11,17,21H,1-2,4-5,7-10,12-16H2,(H2,27,29).
What are the key properties of 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine?
8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine has a molecular weight of 487.61 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2,8-diazaspiro[4.5]dec-1-en-1-amine is sourced from PubChem (CID 135389009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).