[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone

C22H26N2O4S — CID 170508571

IUPAC[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)[C@@H]3CCCO3)CC2)nc1
InChIInChI=1S/C22H26N2O4S/c1-26-15-4-5-17(23-14-15)20-13-16-19(29-20)6-12-28-22(16)7-9-24(10-8-22)21(25)18-3-2-11-27-18/h4-5,13-14,18H,2-3,6-12H2,1H3/t18-/m0/s1
InChIKeyGZHJREMWMYBVAJ-SFHVURJKSA-N
MW414.53 g/mol
LogP3.39
Rot. Bonds3

About [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone

[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 170508571) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID170508571
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)[C@@H]3CCCO3)CC2)nc1
InChIInChI=1S/C22H26N2O4S/c1-26-15-4-5-17(23-14-15)20-13-16-19(29-20)6-12-28-22(16)7-9-24(10-8-22)21(25)18-3-2-11-27-18/h4-5,13-14,18H,2-3,6-12H2,1H3/t18-/m0/s1
InChIKeyGZHJREMWMYBVAJ-SFHVURJKSA-N
XLogP3.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]imidazolidin-2-one
CID 170510068
2-(dimethylamino)-1-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]ethanone
CID 170505539
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(1-methylpyrazol-3-yl)methanone
CID 170507708
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 170503122
5-[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyrrole-3-carbonitrile
CID 170513012
1'-[(2,3-dimethylimidazol-4-yl)methyl]-2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170506266
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 170508219
6-[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 170508626
cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
CID 170512156
[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 170507373
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone
CID 170512887

Frequently Asked Questions

What is the IUPAC name of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone (CID 170508571) is [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone is COc1ccc(-c2cc3c(s2)CCOC32CCN(C(=O)[C@@H]3CCCO3)CC2)nc1.
What is the InChIKey of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is GZHJREMWMYBVAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-26-15-4-5-17(23-14-15)20-13-16-19(29-20)6-12-28-22(16)7-9-24(10-8-22)21(25)18-3-2-11-27-18/h4-5,13-14,18H,2-3,6-12H2,1H3/t18-/m0/s1.
What are the key properties of [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone?
[2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 414.53 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methoxy-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 170508571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).