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

C23H26N6O — CID 156806970

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cn[nH]c3)nc1CO)CC2
InChIInChI=1S/C23H26N6O/c24-21-19-4-2-1-3-17(19)11-23(21)7-9-29(10-8-23)22-20(15-30)28-18(14-25-22)6-5-16-12-26-27-13-16/h1-6,12-14,21,30H,7-11,15,24H2,(H,26,27)/b6-5-/t21-/m1/s1
InChIKeyYEGUYXYRSRXMMJ-QEVIJRNUSA-N
MW402.50 g/mol
LogP2.71
Rot. Bonds4

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

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol (PubChem CID 156806970) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-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-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
PubChem CID156806970
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cn[nH]c3)nc1CO)CC2
InChIInChI=1S/C23H26N6O/c24-21-19-4-2-1-3-17(19)11-23(21)7-9-29(10-8-23)22-20(15-30)28-18(14-25-22)6-5-16-12-26-27-13-16/h1-6,12-14,21,30H,7-11,15,24H2,(H,26,27)/b6-5-/t21-/m1/s1
InChIKeyYEGUYXYRSRXMMJ-QEVIJRNUSA-N
XLogP2.71
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(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
[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
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
[6-(2-aminopyrimidin-4-yl)sulfanyl-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
CID 154662929
(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
[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
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
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
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
CID 155401093
[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

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-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-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol (CID 156806970) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-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-(1H-pyrazol-4-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-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(/C=C\c3cn[nH]c3)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
The InChIKey is YEGUYXYRSRXMMJ-QEVIJRNUSA-N. The full InChI is InChI=1S/C23H26N6O/c24-21-19-4-2-1-3-17(19)11-23(21)7-9-29(10-8-23)22-20(15-30)28-18(14-25-22)6-5-16-12-26-27-13-16/h1-6,12-14,21,30H,7-11,15,24H2,(H,26,27)/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-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol has a molecular weight of 402.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 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-[(Z)-2-(1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol is sourced from PubChem (CID 156806970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).