2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile

C24H27FN6OS — CID 87294280

About 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile

2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile (PubChem CID 87294280) has the molecular formula C24H27FN6OS and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile.

Molecular Properties

• Compound Name: 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile
• PubChem CID: 87294280
• Molecular Formula: C24H27FN6OS
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.20
• IUPAC Name: 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile
• SMILES: Cc1nn(-c2ncccc2N(C)CC#N)cc1CN1CCC2(CC1)OCCc1cc(F)sc12
• InChI: InChI=1S/C24H27FN6OS/c1-17-19(16-31(28-17)23-20(4-3-9-27-23)29(2)12-8-26)15-30-10-6-24(7-11-30)22-18(5-13-32-24)14-21(25)33-22/h3-4,9,14,16H,5-7,10-13,15H2,1-2H3
• InChIKey: PDCKEKMBAFKNDM-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 70.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanamide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile?

The IUPAC name of 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile (CID 87294280) is 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile.

What is the SMILES notation for 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile?

The canonical SMILES for 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile is Cc1nn(-c2ncccc2N(C)CC#N)cc1CN1CCC2(CC1)OCCc1cc(F)sc12.

What is the InChIKey of 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile?

The InChIKey is PDCKEKMBAFKNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS/c1-17-19(16-31(28-17)23-20(4-3-9-27-23)29(2)12-8-26)15-30-10-6-24(7-11-30)22-18(5-13-32-24)14-21(25)33-22/h3-4,9,14,16H,5-7,10-13,15H2,1-2H3.

What are the key properties of 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile?

2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile has a molecular weight of 466.59 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-[(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile is sourced from PubChem (CID 87294280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).