2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H28N4O2 — CID 70741090

IUPAC2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3ccc(-n4cccn4)cc3)C2)CN1CCO
InChIInChI=1S/C21H28N4O2/c26-14-13-24-17-21(9-7-20(24)27)8-1-11-23(16-21)15-18-3-5-19(6-4-18)25-12-2-10-22-25/h2-6,10,12,26H,1,7-9,11,13-17H2
InChIKeyIGVMOILSBMCMBU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70741090) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70741090
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(Cc3ccc(-n4cccn4)cc3)C2)CN1CCO
InChIInChI=1S/C21H28N4O2/c26-14-13-24-17-21(9-7-20(24)27)8-1-11-23(16-21)15-18-3-5-19(6-4-18)25-12-2-10-22-25/h2-6,10,12,26H,1,7-9,11,13-17H2
InChIKeyIGVMOILSBMCMBU-UHFFFAOYSA-N
XLogP2.07
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-(3-hydroxypropyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580737
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
(6R)-2-(2-hydroxyethyl)-8-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 124751305
2-(2-hydroxyethyl)-8-[(2,4,6-trifluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70725584

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70741090) is 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(Cc3ccc(-n4cccn4)cc3)C2)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is IGVMOILSBMCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-14-13-24-17-21(9-7-20(24)27)8-1-11-23(16-21)15-18-3-5-19(6-4-18)25-12-2-10-22-25/h2-6,10,12,26H,1,7-9,11,13-17H2.
What are the key properties of 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70741090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).