(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H23N3O2 — CID 95727228

IUPAC(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1Cc2ccccc2C12CCN(Cc1ccc(-c3ccn[nH]3)o1)CC2
InChIInChI=1S/C21H23N3O2/c25-20-13-15-3-1-2-4-17(15)21(20)8-11-24(12-9-21)14-16-5-6-19(26-16)18-7-10-22-23-18/h1-7,10,20,25H,8-9,11-14H2,(H,22,23)/t20-/m0/s1
InChIKeySMTQRUUNXZQMTM-FQEVSTJZSA-N
MW349.43 g/mol
LogP3.12
Rot. Bonds3

About (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 95727228) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID95727228
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1Cc2ccccc2C12CCN(Cc1ccc(-c3ccn[nH]3)o1)CC2
InChIInChI=1S/C21H23N3O2/c25-20-13-15-3-1-2-4-17(15)21(20)8-11-24(12-9-21)14-16-5-6-19(26-16)18-7-10-22-23-18/h1-7,10,20,25H,8-9,11-14H2,(H,22,23)/t20-/m0/s1
InChIKeySMTQRUUNXZQMTM-FQEVSTJZSA-N
XLogP3.12
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 95727228) is (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1Cc2ccccc2C12CCN(Cc1ccc(-c3ccn[nH]3)o1)CC2.
What is the InChIKey of (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is SMTQRUUNXZQMTM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-13-15-3-1-2-4-17(15)21(20)8-11-24(12-9-21)14-16-5-6-19(26-16)18-7-10-22-23-18/h1-7,10,20,25H,8-9,11-14H2,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 349.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 95727228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).