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

C24H27ClF2N4O2S — CID 58268545

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

2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 58268545) has the molecular formula C24H27ClF2N4O2S and a molecular weight of 509.02 g/mol. Its IUPAC name is 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol
• PubChem CID: 58268545
• Molecular Formula: C24H27ClF2N4O2S
• Molecular Weight: 509.02 g/mol
• Exact Mass: 508.15
• IUPAC Name: 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol
• SMILES: Cc1nn(-c2ncccc2C(C)(C)O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
• InChI: InChI=1S/C24H27ClF2N4O2S/c1-15-16(13-31(29-15)21-17(22(2,3)32)5-4-8-28-21)12-30-9-6-23(7-10-30)20-18(11-19(25)34-20)24(26,27)14-33-23/h4-5,8,11,13,32H,6-7,9-10,12,14H2,1-3H3
• InChIKey: OWSWJACVANVMFR-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.02
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol (CID 58268545) is 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol.

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

The canonical SMILES for 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol is Cc1nn(-c2ncccc2C(C)(C)O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12.

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

The InChIKey is OWSWJACVANVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N4O2S/c1-15-16(13-31(29-15)21-17(22(2,3)32)5-4-8-28-21)12-30-9-6-23(7-10-30)20-18(11-19(25)34-20)24(26,27)14-33-23/h4-5,8,11,13,32H,6-7,9-10,12,14H2,1-3H3.

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

2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 509.02 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 58268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).