1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one

C17H22N4O2 — CID 167854068

IUPAC1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one
SMILESO=c1ccccn1CCN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H22N4O2/c22-15-3-1-2-7-20(15)9-10-21-8-4-14-16(19-13-18-14)17(21)5-11-23-12-6-17/h1-3,7,13H,4-6,8-12H2,(H,18,19)
InChIKeyWTGRAYZQLMBDQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one

1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one (PubChem CID 167854068) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one
PubChem CID167854068
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one
SMILESO=c1ccccn1CCN1CCc2[nH]cnc2C12CCOCC2
InChIInChI=1S/C17H22N4O2/c22-15-3-1-2-7-20(15)9-10-21-8-4-14-16(19-13-18-14)17(21)5-11-23-12-6-17/h1-3,7,13H,4-6,8-12H2,(H,18,19)
InChIKeyWTGRAYZQLMBDQO-UHFFFAOYSA-N
XLogP1.14
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 167795707
N-(2,5-dimethylpyrazol-3-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylacetamide
CID 146109733
5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 136562978
1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
CID 138025112
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794
4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
CID 72920667
1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]-5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72934730
(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
CID 97145593
5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72866458
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
3-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 72932074

Frequently Asked Questions

What is the IUPAC name of 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one?
The IUPAC name of 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one (CID 167854068) is 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one?
The canonical SMILES for 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one is O=c1ccccn1CCN1CCc2[nH]cnc2C12CCOCC2.
What is the InChIKey of 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one?
The InChIKey is WTGRAYZQLMBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-15-3-1-2-7-20(15)9-10-21-8-4-14-16(19-13-18-14)17(21)5-11-23-12-6-17/h1-3,7,13H,4-6,8-12H2,(H,18,19).
What are the key properties of 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one?
1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethyl)pyridin-2-one is sourced from PubChem (CID 167854068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).