[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol

C20H24F3N3O2S — CID 146214025

IUPAC[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol
SMILESCC1Cc2cc(CO)sc2C2(CCN(C(C)c3cnc(C(F)(F)F)nc3)CC2)O1
InChIInChI=1S/C20H24F3N3O2S/c1-12-7-14-8-16(11-27)29-17(14)19(28-12)3-5-26(6-4-19)13(2)15-9-24-18(25-10-15)20(21,22)23/h8-10,12-13,27H,3-7,11H2,1-2H3
InChIKeyURHXEDHLDCHIRC-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.06
Rot. Bonds3

About [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol

[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol (PubChem CID 146214025) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol
PubChem CID146214025
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC Name[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol
SMILESCC1Cc2cc(CO)sc2C2(CCN(C(C)c3cnc(C(F)(F)F)nc3)CC2)O1
InChIInChI=1S/C20H24F3N3O2S/c1-12-7-14-8-16(11-27)29-17(14)19(28-12)3-5-26(6-4-19)13(2)15-9-24-18(25-10-15)20(21,22)23/h8-10,12-13,27H,3-7,11H2,1-2H3
InChIKeyURHXEDHLDCHIRC-UHFFFAOYSA-N
XLogP4.06
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol?
The IUPAC name of [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol (CID 146214025) is [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol.
What is the SMILES notation for [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol?
The canonical SMILES for [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol is CC1Cc2cc(CO)sc2C2(CCN(C(C)c3cnc(C(F)(F)F)nc3)CC2)O1.
What is the InChIKey of [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol?
The InChIKey is URHXEDHLDCHIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-12-7-14-8-16(11-27)29-17(14)19(28-12)3-5-26(6-4-19)13(2)15-9-24-18(25-10-15)20(21,22)23/h8-10,12-13,27H,3-7,11H2,1-2H3.
What are the key properties of [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol?
[5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol has a molecular weight of 427.49 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol is sourced from PubChem (CID 146214025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).