[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol

C23H25N5OS — CID 156806963

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cncs3)nc1CO)CC2
InChIInChI=1S/C23H25N5OS/c24-21-19-4-2-1-3-16(19)11-23(21)7-9-28(10-8-23)22-20(14-29)27-17(12-26-22)5-6-18-13-25-15-30-18/h1-6,12-13,15,21,29H,7-11,14,24H2/b6-5-/t21-/m1/s1
InChIKeyCQHZLXIEFLVSPA-QEVIJRNUSA-N
MW419.55 g/mol
LogP3.44
Rot. Bonds4

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol (PubChem CID 156806963) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol
PubChem CID156806963
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cncs3)nc1CO)CC2
InChIInChI=1S/C23H25N5OS/c24-21-19-4-2-1-3-16(19)11-23(21)7-9-28(10-8-23)22-20(14-29)27-17(12-26-22)5-6-18-13-25-15-30-18/h1-6,12-13,15,21,29H,7-11,14,24H2/b6-5-/t21-/m1/s1
InChIKeyCQHZLXIEFLVSPA-QEVIJRNUSA-N
XLogP3.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol with MolForge

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Related Compounds

[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol
CID 175756183
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
CID 156806970
[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
CID 175756164
4-[2-[5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(hydroxymethyl)pyrazin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 175756180
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
4-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynylamino]benzamide
CID 162680644
[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
CID 154662929
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[3-(2-hydrazinylpyrimidin-5-yl)oxyprop-1-ynyl]pyrazin-2-yl]methanol
CID 169490036
[6-[3-(5-aminoindol-1-yl)prop-1-ynyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
CID 157023165
(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]methanone
CID 170682927
4-[3-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)pyrazin-2-yl]prop-2-ynoxy]benzamide
CID 168858912
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[3-(5-methoxybenzimidazol-1-yl)prop-1-ynyl]pyrazin-2-yl]methanol
CID 157023160

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol (CID 156806963) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cncs3)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol?
The InChIKey is CQHZLXIEFLVSPA-QEVIJRNUSA-N. The full InChI is InChI=1S/C23H25N5OS/c24-21-19-4-2-1-3-16(19)11-23(21)7-9-28(10-8-23)22-20(14-29)27-17(12-26-22)5-6-18-13-25-15-30-18/h1-6,12-13,15,21,29H,7-11,14,24H2/b6-5-/t21-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol has a molecular weight of 419.55 g/mol, XLogP of 3.44, 4 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-[(Z)-2-(1,3-thiazol-5-yl)ethenyl]pyrazin-2-yl]methanol is sourced from PubChem (CID 156806963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).