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

C23H29N3O3S — CID 170512156

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

1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone (PubChem CID 170512156) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 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-(oxan-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
• PubChem CID: 170512156
• Molecular Formula: C23H29N3O3S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.19
• IUPAC Name: 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
• SMILES: Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)CC3CCCOC3)CC2)n1
• InChI: InChI=1S/C23H29N3O3S/c24-21-5-1-4-18(25-21)20-14-17-19(30-20)6-12-29-23(17)7-9-26(10-8-23)22(27)13-16-3-2-11-28-15-16/h1,4-5,14,16H,2-3,6-13,15H2,(H2,24,25)
• InChIKey: AANPSGVKHTVMRK-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 77.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
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-(oxan-3-yl)ethanone?

The IUPAC name of 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone (CID 170512156) is 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone.

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-(oxan-3-yl)ethanone?

The canonical SMILES for 1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone is Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)CC3CCCOC3)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-(oxan-3-yl)ethanone?

The InChIKey is AANPSGVKHTVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c24-21-5-1-4-18(25-21)20-14-17-19(30-20)6-12-29-23(17)7-9-26(10-8-23)22(27)13-16-3-2-11-28-15-16/h1,4-5,14,16H,2-3,6-13,15H2,(H2,24,25).

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-(oxan-3-yl)ethanone?

1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone has a molecular weight of 427.57 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 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-(oxan-3-yl)ethanone is sourced from PubChem (CID 170512156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).