[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol

C26H30N6O — CID 155774193

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ncccc43)nc1CO)CC2
InChIInChI=1S/C26H30N6O/c27-24-19-6-2-1-5-18(19)15-26(24)9-13-31(14-10-26)25-21(17-33)30-23(16-29-25)32-12-4-7-20-22(32)8-3-11-28-20/h1-3,5-6,8,11,16,24,33H,4,7,9-10,12-15,17,27H2/t24-/m1/s1
InChIKeySXHVTZWCZLZOJO-XMMPIXPASA-N
MW442.57 g/mol
LogP3.29
Rot. Bonds3

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol (PubChem CID 155774193) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol
PubChem CID155774193
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ncccc43)nc1CO)CC2
InChIInChI=1S/C26H30N6O/c27-24-19-6-2-1-5-18(19)15-26(24)9-13-31(14-10-26)25-21(17-33)30-23(16-29-25)32-12-4-7-20-22(32)8-3-11-28-20/h1-3,5-6,8,11,16,24,33H,4,7,9-10,12-15,17,27H2/t24-/m1/s1
InChIKeySXHVTZWCZLZOJO-XMMPIXPASA-N
XLogP3.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol (CID 155774193) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ncccc43)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol?
The InChIKey is SXHVTZWCZLZOJO-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N6O/c27-24-19-6-2-1-5-18(19)15-26(24)9-13-31(14-10-26)25-21(17-33)30-23(16-29-25)32-12-4-7-20-22(32)8-3-11-28-20/h1-3,5-6,8,11,16,24,33H,4,7,9-10,12-15,17,27H2/t24-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol has a molecular weight of 442.57 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 155774193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).