7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H21N5O2 — CID 176506532

IUPAC7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(Cn1ccnc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H21N5O2/c24-16(12-21-10-7-19-14-21)23-9-5-18(13-23)4-8-22(17(18)25)11-15-3-1-2-6-20-15/h1-3,6-7,10,14H,4-5,8-9,11-13H2
InChIKeySJIKGBGLJCRCMK-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.93
Rot. Bonds4

About 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176506532) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176506532
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(Cn1ccnc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H21N5O2/c24-16(12-21-10-7-19-14-21)23-9-5-18(13-23)4-8-22(17(18)25)11-15-3-1-2-6-20-15/h1-3,6-7,10,14H,4-5,8-9,11-13H2
InChIKeySJIKGBGLJCRCMK-UHFFFAOYSA-N
XLogP0.93
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642803
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311
2-(pyridin-2-ylmethyl)-7-(pyrrolidine-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 118745254
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641918
7-(2-methyl-2-morpholin-4-ylpropanoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641553
7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644513
7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641736
(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117487
2-(pyridin-2-ylmethyl)-7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644757
7-(2-hydroxy-4-methoxybenzoyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642186
2-imidazol-1-yl-1-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97142143
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176506532) is 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(Cn1ccnc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1.
What is the InChIKey of 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is SJIKGBGLJCRCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(12-21-10-7-19-14-21)23-9-5-18(13-23)4-8-22(17(18)25)11-15-3-1-2-6-20-15/h1-3,6-7,10,14H,4-5,8-9,11-13H2.
What are the key properties of 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 339.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176506532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).