tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate

C26H34N8O2 — CID 142484437

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

tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate (PubChem CID 142484437) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate
• PubChem CID: 142484437
• Molecular Formula: C26H34N8O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.28
• IUPAC Name: tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCCC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)C2
• InChI: InChI=1S/C26H34N8O2/c1-25(2,3)36-24(35)29-19-9-4-10-26(19)11-14-33(16-26)20-15-28-21-22(30-20)31-32-23(21)34-13-6-7-17-18(34)8-5-12-27-17/h5,8,12,15,19H,4,6-7,9-11,13-14,16H2,1-3H3,(H,29,35)(H,30,31,32)
• InChIKey: LFHZMSQBVDHUFV-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 112.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate?

The IUPAC name of tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate (CID 142484437) is tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate?

The canonical SMILES for tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate is CC(C)(C)OC(=O)NC1CCCC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)C2.

What is the InChIKey of tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate?

The InChIKey is LFHZMSQBVDHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-25(2,3)36-24(35)29-19-9-4-10-26(19)11-14-33(16-26)20-15-28-21-22(30-20)31-32-23(21)34-13-6-7-17-18(34)8-5-12-27-17/h5,8,12,15,19H,4,6-7,9-11,13-14,16H2,1-3H3,(H,29,35)(H,30,31,32).

What are the key properties of tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate?

tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate has a molecular weight of 490.61 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-azaspiro[4.4]nonan-9-yl]carbamate is sourced from PubChem (CID 142484437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).