[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol

C23H23ClF3N3O2S — CID 150928346

About [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol

[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol (PubChem CID 150928346) has the molecular formula C23H23ClF3N3O2S and a molecular weight of 497.97 g/mol. Its IUPAC name is [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol.

Molecular Properties

• Compound Name: [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol
• PubChem CID: 150928346
• Molecular Formula: C23H23ClF3N3O2S
• Molecular Weight: 497.97 g/mol
• Exact Mass: 497.12
• IUPAC Name: [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol
• SMILES: Cc1nn(-c2c(F)cccc2CO)cc1CC1CC2(CCN1)OCC(F)(F)c1cc(Cl)sc12
• InChI: InChI=1S/C23H23ClF3N3O2S/c1-13-15(10-30(29-13)20-14(11-31)3-2-4-18(20)25)7-16-9-22(5-6-28-16)21-17(8-19(24)33-21)23(26,27)12-32-22/h2-4,8,10,16,28,31H,5-7,9,11-12H2,1H3
• InChIKey: LFMJUDZRZLFDFM-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 59.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.97
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol?

The IUPAC name of [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol (CID 150928346) is [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol.

What is the SMILES notation for [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol?

The canonical SMILES for [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol is Cc1nn(-c2c(F)cccc2CO)cc1CC1CC2(CCN1)OCC(F)(F)c1cc(Cl)sc12.

What is the InChIKey of [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol?

The InChIKey is LFMJUDZRZLFDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O2S/c1-13-15(10-30(29-13)20-14(11-31)3-2-4-18(20)25)7-16-9-22(5-6-28-16)21-17(8-19(24)33-21)23(26,27)12-32-22/h2-4,8,10,16,28,31H,5-7,9,11-12H2,1H3.

What are the key properties of [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol?

[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol has a molecular weight of 497.97 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)methyl]-3-methylpyrazol-1-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 150928346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).