2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C18H24N6O — CID 70750354

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3cnccn3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C18H24N6O/c25-17-2-5-18(13-24(17)9-3-15-10-20-14-22-15)4-1-8-23(12-18)16-11-19-6-7-21-16/h6-7,10-11,14H,1-5,8-9,12-13H2,(H,20,22)
InChIKeyTWDGBOJXEIWKQC-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70750354) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70750354
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(c3cnccn3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C18H24N6O/c25-17-2-5-18(13-24(17)9-3-15-10-20-14-22-15)4-1-8-23(12-18)16-11-19-6-7-21-16/h6-7,10-11,14H,1-5,8-9,12-13H2,(H,20,22)
InChIKeyTWDGBOJXEIWKQC-UHFFFAOYSA-N
XLogP1.65
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile
CID 72883632
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579307
(6R)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121302
2-[2-(1H-imidazol-5-yl)ethyl]-8-(7H-purin-6-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72852506
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96581260
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113026
8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70750354) is 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(c3cnccn3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is TWDGBOJXEIWKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-17-2-5-18(13-24(17)9-3-15-10-20-14-22-15)4-1-8-23(12-18)16-11-19-6-7-21-16/h6-7,10-11,14H,1-5,8-9,12-13H2,(H,20,22).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70750354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).