1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C24H26N2O2S — CID 70677392

IUPAC1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOC1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H26N2O2S/c1-27-22-15-20-14-21(19-8-5-11-25-16-19)29-23(20)24(28-22)9-12-26(13-10-24)17-18-6-3-2-4-7-18/h2-8,11,14,16,22H,9-10,12-13,15,17H2,1H3
InChIKeyCLCKUERXHBVZOY-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.85
Rot. Bonds4

About 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 70677392) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID70677392
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCOC1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H26N2O2S/c1-27-22-15-20-14-21(19-8-5-11-25-16-19)29-23(20)24(28-22)9-12-26(13-10-24)17-18-6-3-2-4-7-18/h2-8,11,14,16,22H,9-10,12-13,15,17H2,1H3
InChIKeyCLCKUERXHBVZOY-UHFFFAOYSA-N
XLogP4.85
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 70677392) is 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is COC1Cc2cc(-c3cccnc3)sc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is CLCKUERXHBVZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-27-22-15-20-14-21(19-8-5-11-25-16-19)29-23(20)24(28-22)9-12-26(13-10-24)17-18-6-3-2-4-7-18/h2-8,11,14,16,22H,9-10,12-13,15,17H2,1H3.
What are the key properties of 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 406.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methoxy-2-pyridin-3-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 70677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).