(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane

C30H37N7O — CID 160631140

About (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane

(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane (PubChem CID 160631140) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane.

Molecular Properties

• Compound Name: (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane
• PubChem CID: 160631140
• Molecular Formula: C30H37N7O
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.31
• IUPAC Name: (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane
• SMILES: C.C[C@H](O)c1nc2c(nc1N1CCC3(CC1)Cc1ccccc1[C@H]3N)CN=C2N1CCCc2ncccc21
• InChI: InChI=1S/C29H33N7O.CH4/c1-18(37)24-28(35-14-10-29(11-15-35)16-19-6-2-3-7-20(19)26(29)30)33-22-17-32-27(25(22)34-24)36-13-5-8-21-23(36)9-4-12-31-21;/h2-4,6-7,9,12,18,26,37H,5,8,10-11,13-17,30H2,1H3;1H4/t18-,26+;/m0./s1
• InChIKey: RHYBGVHMDKTSEO-RJEJWSCMSA-N
• XLogP: 4.12
• TPSA: 103.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane?

The IUPAC name of (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane (CID 160631140) is (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane.

What is the SMILES notation for (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane?

The canonical SMILES for (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane is C.C[C@H](O)c1nc2c(nc1N1CCC3(CC1)Cc1ccccc1[C@H]3N)CN=C2N1CCCc2ncccc21.

What is the InChIKey of (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane?

The InChIKey is RHYBGVHMDKTSEO-RJEJWSCMSA-N. The full InChI is InChI=1S/C29H33N7O.CH4/c1-18(37)24-28(35-14-10-29(11-15-35)16-19-6-2-3-7-20(19)26(29)30)33-22-17-32-27(25(22)34-24)36-13-5-8-21-23(36)9-4-12-31-21;/h2-4,6-7,9,12,18,26,37H,5,8,10-11,13-17,30H2,1H3;1H4/t18-,26+;/m0./s1.

What are the key properties of (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane?

(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane has a molecular weight of 511.67 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane is sourced from PubChem (CID 160631140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).