benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

C37H41N9O4 — CID 164850797

About benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate

benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (PubChem CID 164850797) has the molecular formula C37H41N9O4 and a molecular weight of 675.79 g/mol. Its IUPAC name is benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
• PubChem CID: 164850797
• Molecular Formula: C37H41N9O4
• Molecular Weight: 675.79 g/mol
• Exact Mass: 675.33
• IUPAC Name: benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
• SMILES: Cc1cc(C2(CNC(=O)OCc3ccccc3)C3CCN(c4cnc5c(N6CCCc7ncccc76)nn(C6CCCCO6)c5n4)CC32)no1
• InChI: InChI=1S/C37H41N9O4/c1-24-19-30(43-50-24)37(23-40-36(47)49-22-25-9-3-2-4-10-25)26-14-17-44(21-27(26)37)31-20-39-33-34(41-31)46(32-13-5-6-18-48-32)42-35(33)45-16-8-11-28-29(45)12-7-15-38-28/h2-4,7,9-10,12,15,19-20,26-27,32H,5-6,8,11,13-14,16-18,21-23H2,1H3,(H,40,47)
• InChIKey: GOMDSCJMCHRFIE-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 136.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	675.79
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?

The IUPAC name of benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate (CID 164850797) is benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate.

What is the SMILES notation for benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?

The canonical SMILES for benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is Cc1cc(C2(CNC(=O)OCc3ccccc3)C3CCN(c4cnc5c(N6CCCc7ncccc76)nn(C6CCCCO6)c5n4)CC32)no1.

What is the InChIKey of benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?

The InChIKey is GOMDSCJMCHRFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N9O4/c1-24-19-30(43-50-24)37(23-40-36(47)49-22-25-9-3-2-4-10-25)26-14-17-44(21-27(26)37)31-20-39-33-34(41-31)46(32-13-5-6-18-48-32)42-35(33)45-16-8-11-28-29(45)12-7-15-38-28/h2-4,7,9-10,12,15,19-20,26-27,32H,5-6,8,11,13-14,16-18,21-23H2,1H3,(H,40,47).

What are the key properties of benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate?

benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate has a molecular weight of 675.79 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[3-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate is sourced from PubChem (CID 164850797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).