1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone

C28H30N8O — CID 155774274

IUPAC1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c2ccccc21
InChIInChI=1S/C28H30N8O/c1-18(37)35-14-15-36(22-9-5-4-8-21(22)35)27-24-26(32-33-27)31-23(17-30-24)34-12-10-28(11-13-34)16-19-6-2-3-7-20(19)25(28)29/h2-9,17,25H,10-16,29H2,1H3,(H,31,32,33)/t25-/m0/s1
InChIKeyCNPYYVLNLFJBTD-VWLOTQADSA-N
MW494.60 g/mol
LogP3.70
Rot. Bonds2

About 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 155774274) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID155774274
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c2ccccc21
InChIInChI=1S/C28H30N8O/c1-18(37)35-14-15-36(22-9-5-4-8-21(22)35)27-24-26(32-33-27)31-23(17-30-24)34-12-10-28(11-13-34)16-19-6-2-3-7-20(19)25(28)29/h2-9,17,25H,10-16,29H2,1H3,(H,31,32,33)/t25-/m0/s1
InChIKeyCNPYYVLNLFJBTD-VWLOTQADSA-N
XLogP3.70
TPSA107.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone (CID 155774274) is 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)Cc4ccccc4[C@@H]5N)cnc23)c2ccccc21.
What is the InChIKey of 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is CNPYYVLNLFJBTD-VWLOTQADSA-N. The full InChI is InChI=1S/C28H30N8O/c1-18(37)35-14-15-36(22-9-5-4-8-21(22)35)27-24-26(32-33-27)31-23(17-30-24)34-12-10-28(11-13-34)16-19-6-2-3-7-20(19)25(28)29/h2-9,17,25H,10-16,29H2,1H3,(H,31,32,33)/t25-/m0/s1.
What are the key properties of 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 494.60 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 155774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).