6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one

C20H24F2N2O2S — CID 169138590

IUPAC6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one
SMILESC[C@H]1C[C@@]2(CCN1Cc1cccc(=O)[nH]1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C20H24F2N2O2S/c1-13-11-20(6-7-24(13)12-15-3-2-4-18(25)23-15)19-14(5-8-26-20)9-16(27-19)10-17(21)22/h2-4,9,13,17H,5-8,10-12H2,1H3,(H,23,25)/t13-,20+/m0/s1
InChIKeyUZBIUCMPUMOZMU-RNODOKPDSA-N
MW394.49 g/mol
LogP3.70
Rot. Bonds4

About 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one

6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one (PubChem CID 169138590) has the molecular formula C20H24F2N2O2S and a molecular weight of 394.49 g/mol. Its IUPAC name is 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one
PubChem CID169138590
Molecular FormulaC20H24F2N2O2S
Molecular Weight394.49 g/mol
Exact Mass394.15
IUPAC Name6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one
SMILESC[C@H]1C[C@@]2(CCN1Cc1cccc(=O)[nH]1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C20H24F2N2O2S/c1-13-11-20(6-7-24(13)12-15-3-2-4-18(25)23-15)19-14(5-8-26-20)9-16(27-19)10-17(21)22/h2-4,9,13,17H,5-8,10-12H2,1H3,(H,23,25)/t13-,20+/m0/s1
InChIKeyUZBIUCMPUMOZMU-RNODOKPDSA-N
XLogP3.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one (CID 169138590) is 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one is C[C@H]1C[C@@]2(CCN1Cc1cccc(=O)[nH]1)OCCc1cc(CC(F)F)sc12.
What is the InChIKey of 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one?
The InChIKey is UZBIUCMPUMOZMU-RNODOKPDSA-N. The full InChI is InChI=1S/C20H24F2N2O2S/c1-13-11-20(6-7-24(13)12-15-3-2-4-18(25)23-15)19-14(5-8-26-20)9-16(27-19)10-17(21)22/h2-4,9,13,17H,5-8,10-12H2,1H3,(H,23,25)/t13-,20+/m0/s1.
What are the key properties of 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one?
6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one has a molecular weight of 394.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 169138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).