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

C25H31N9O2 — CID 135388892

IUPAC8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
SMILESNC1=NC2(CCN(c3cnc4c(N5CCCc6ncccc65)nn(C5CCCCO5)c4n3)CC2)CO1
InChIInChI=1S/C25H31N9O2/c26-24-30-25(16-36-24)8-12-32(13-9-25)19-15-28-21-22(29-19)34(20-7-1-2-14-35-20)31-23(21)33-11-4-5-17-18(33)6-3-10-27-17/h3,6,10,15,20H,1-2,4-5,7-9,11-14,16H2,(H2,26,30)
InChIKeyUYWXUDRJSGTASA-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.69
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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine

8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (PubChem CID 135388892) has the molecular formula C25H31N9O2 and a molecular weight of 489.58 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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
PubChem CID135388892
Molecular FormulaC25H31N9O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC Name8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
SMILESNC1=NC2(CCN(c3cnc4c(N5CCCc6ncccc65)nn(C5CCCCO5)c4n3)CC2)CO1
InChIInChI=1S/C25H31N9O2/c26-24-30-25(16-36-24)8-12-32(13-9-25)19-15-28-21-22(29-19)34(20-7-1-2-14-35-20)31-23(21)33-11-4-5-17-18(33)6-3-10-27-17/h3,6,10,15,20H,1-2,4-5,7-9,11-14,16H2,(H2,26,30)
InChIKeyUYWXUDRJSGTASA-UHFFFAOYSA-N
XLogP2.69
TPSA119.81 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (CID 135388892) is 8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is NC1=NC2(CCN(c3cnc4c(N5CCCc6ncccc65)nn(C5CCCCO5)c4n3)CC2)CO1.
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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
The InChIKey is UYWXUDRJSGTASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O2/c26-24-30-25(16-36-24)8-12-32(13-9-25)19-15-28-21-22(29-19)34(20-7-1-2-14-35-20)31-23(21)33-11-4-5-17-18(33)6-3-10-27-17/h3,6,10,15,20H,1-2,4-5,7-9,11-14,16H2,(H2,26,30).
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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine has a molecular weight of 489.58 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 11 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]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 135388892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).