1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone

C22H28N4O2S — CID 170511659

About 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone

1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone (PubChem CID 170511659) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone.

Molecular Properties

• Compound Name: 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
• PubChem CID: 170511659
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
• SMILES: Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)CC3CCNC3)CC2)n1
• InChI: InChI=1S/C22H28N4O2S/c23-20-3-1-2-17(25-20)19-13-16-18(29-19)5-11-28-22(16)6-9-26(10-7-22)21(27)12-15-4-8-24-14-15/h1-3,13,15,24H,4-12,14H2,(H2,23,25)
• InChIKey: FLMGFSJPIQVIAF-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 80.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone?

The IUPAC name of 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone (CID 170511659) is 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone.

What is the SMILES notation for 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone?

The canonical SMILES for 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone is Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)CC3CCNC3)CC2)n1.

What is the InChIKey of 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone?

The InChIKey is FLMGFSJPIQVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c23-20-3-1-2-17(25-20)19-13-16-18(29-19)5-11-28-22(16)6-9-26(10-7-22)21(27)12-15-4-8-24-14-15/h1-3,13,15,24H,4-12,14H2,(H2,23,25).

What are the key properties of 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone?

1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone has a molecular weight of 412.56 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 170511659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).