[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol

C26H29N5O — CID 139524094

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCc4ccccc43)nc1CO)CC2
InChIInChI=1S/C26H29N5O/c27-24-20-7-3-1-6-19(20)15-26(24)10-13-30(14-11-26)25-21(17-32)29-23(16-28-25)31-12-9-18-5-2-4-8-22(18)31/h1-8,16,24,32H,9-15,17,27H2/t24-/m1/s1
InChIKeyBGNLKHNIZMYABY-XMMPIXPASA-N
MW427.55 g/mol
LogP3.51
Rot. Bonds3

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

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol (PubChem CID 139524094) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol
PubChem CID139524094
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCc4ccccc43)nc1CO)CC2
InChIInChI=1S/C26H29N5O/c27-24-20-7-3-1-6-19(20)15-26(24)10-13-30(14-11-26)25-21(17-32)29-23(16-28-25)31-12-9-18-5-2-4-8-22(18)31/h1-8,16,24,32H,9-15,17,27H2/t24-/m1/s1
InChIKeyBGNLKHNIZMYABY-XMMPIXPASA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol (CID 139524094) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-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-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCc4ccccc43)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol?
The InChIKey is BGNLKHNIZMYABY-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N5O/c27-24-20-7-3-1-6-19(20)15-26(24)10-13-30(14-11-26)25-21(17-32)29-23(16-28-25)31-12-9-18-5-2-4-8-22(18)31/h1-8,16,24,32H,9-15,17,27H2/t24-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol has a molecular weight of 427.55 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2,3-dihydroindol-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 139524094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).