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]methylamino]acetamide

C24H27ClF2N6O2S — CID 58268538

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]methylamino]acetamide

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]methylamino]acetamide (PubChem CID 58268538) has the molecular formula C24H27ClF2N6O2S and a molecular weight of 537.04 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]methylamino]acetamide.

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]methylamino]acetamide
• PubChem CID: 58268538
• Molecular Formula: C24H27ClF2N6O2S
• Molecular Weight: 537.04 g/mol
• Exact Mass: 536.16
• 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]methylamino]acetamide
• SMILES: Cc1nn(-c2ncccc2CNCC(N)=O)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
• InChI: InChI=1S/C24H27ClF2N6O2S/c1-15-17(13-33(31-15)22-16(3-2-6-30-22)10-29-11-20(28)34)12-32-7-4-23(5-8-32)21-18(9-19(25)36-21)24(26,27)14-35-23/h2-3,6,9,13,29H,4-5,7-8,10-12,14H2,1H3,(H2,28,34)
• InChIKey: WZCWKNQSSUVYJR-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.04
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]methylamino]acetamide?

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]methylamino]acetamide (CID 58268538) 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]methylamino]acetamide.

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]methylamino]acetamide?

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]methylamino]acetamide is Cc1nn(-c2ncccc2CNCC(N)=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]methylamino]acetamide?

The InChIKey is WZCWKNQSSUVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N6O2S/c1-15-17(13-33(31-15)22-16(3-2-6-30-22)10-29-11-20(28)34)12-32-7-4-23(5-8-32)21-18(9-19(25)36-21)24(26,27)14-35-23/h2-3,6,9,13,29H,4-5,7-8,10-12,14H2,1H3,(H2,28,34).

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]methylamino]acetamide?

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]methylamino]acetamide has a molecular weight of 537.04 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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]methylamino]acetamide is sourced from PubChem (CID 58268538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).