9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol

C21H23N3O — CID 163533521

IUPAC9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol
SMILESOC1CNC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C21H23N3O/c25-20-15-23-21(12-4-5-13-21)16-24(20)19-11-10-18(14-22-19)9-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,14,20,23,25H,4-5,12-13,15-16H2
InChIKeyDUZGAWUYZGPOOQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.52
Rot. Bonds1

About 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol

9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol (PubChem CID 163533521) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol
PubChem CID163533521
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol
SMILESOC1CNC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1
InChIInChI=1S/C21H23N3O/c25-20-15-23-21(12-4-5-13-21)16-24(20)19-11-10-18(14-22-19)9-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,14,20,23,25H,4-5,12-13,15-16H2
InChIKeyDUZGAWUYZGPOOQ-UHFFFAOYSA-N
XLogP2.52
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-dimethylpyrazolidin-1-yl)-5-(2-phenylethynyl)pyridine
CID 152538841
1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464032
5,5-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]piperidin-2-one
CID 53493228
(3aR,6aS)-1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 58464137
(5S)-5-hydroxy-6,6-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 67437322
5,5-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 53493226
1-[5-(2-phenylethynyl)-2-pyridinyl]-3-propan-2-yl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464044
(3aR,6aR)-1-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 141382414
2-(5-tert-butyl-5-methylpyrrolidin-3-yl)-5-(2-phenylethynyl)pyridine
CID 141314304
4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 123142459
5-(1,1-difluoroethyl)-5-methyl-2-[5-(2-phenylethynyl)-2-pyridinyl]pyrazolidin-3-one
CID 149195244
6-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one;6-[5-[2-(4-fluorophenyl)ethynyl]-2-pyridinyl]-4-methyl-4,6-diazaspiro[2.4]heptan-5-one
CID 160777512

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol?
The IUPAC name of 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol (CID 163533521) is 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol.
What is the SMILES notation for 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol?
The canonical SMILES for 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol is OC1CNC2(CCCC2)CN1c1ccc(C#Cc2ccccc2)cn1.
What is the InChIKey of 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol?
The InChIKey is DUZGAWUYZGPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-20-15-23-21(12-4-5-13-21)16-24(20)19-11-10-18(14-22-19)9-8-17-6-2-1-3-7-17/h1-3,6-7,10-11,14,20,23,25H,4-5,12-13,15-16H2.
What are the key properties of 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol?
9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol has a molecular weight of 333.44 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2-phenylethynyl)-2-pyridinyl]-6,9-diazaspiro[4.5]decan-8-ol is sourced from PubChem (CID 163533521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).