(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine

C29H31N7 — CID 167539373

About (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine

(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine (PubChem CID 167539373) has the molecular formula C29H31N7 and a molecular weight of 477.62 g/mol. Its IUPAC name is (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine.

Molecular Properties

• Compound Name: (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine
• PubChem CID: 167539373
• Molecular Formula: C29H31N7
• Molecular Weight: 477.62 g/mol
• Exact Mass: 477.26
• IUPAC Name: (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine
• SMILES: N[C@@H]1c2ccccc2CC12C[C@H]1CC[C@@H](C2)N1c1cnc2c(n1)CN=C2N1CCCc2ncccc21
• InChI: InChI=1S/C29H31N7/c30-27-21-6-2-1-5-18(21)13-29(27)14-19-9-10-20(15-29)36(19)25-17-32-26-23(34-25)16-33-28(26)35-12-4-7-22-24(35)8-3-11-31-22/h1-3,5-6,8,11,17,19-20,27H,4,7,9-10,12-16,30H2/t19-,20+,27-,29?/m1/s1
• InChIKey: UGXCFXAIDDDXAI-LBPKCPQSSA-N
• XLogP: 3.96
• TPSA: 83.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.62
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine?

The IUPAC name of (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine (CID 167539373) is (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine.

What is the SMILES notation for (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine?

The canonical SMILES for (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine is N[C@@H]1c2ccccc2CC12C[C@H]1CC[C@@H](C2)N1c1cnc2c(n1)CN=C2N1CCCc2ncccc21.

What is the InChIKey of (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine?

The InChIKey is UGXCFXAIDDDXAI-LBPKCPQSSA-N. The full InChI is InChI=1S/C29H31N7/c30-27-21-6-2-1-5-18(21)13-29(27)14-19-9-10-20(15-29)36(19)25-17-32-26-23(34-25)16-33-28(26)35-12-4-7-22-24(35)8-3-11-31-22/h1-3,5-6,8,11,17,19-20,27H,4,7,9-10,12-16,30H2/t19-,20+,27-,29?/m1/s1.

What are the key properties of (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine?

(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine has a molecular weight of 477.62 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine is sourced from PubChem (CID 167539373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).