2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C21H20N6OS — CID 170504131

About 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 170504131) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

• Compound Name: 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
• PubChem CID: 170504131
• Molecular Formula: C21H20N6OS
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.14
• IUPAC Name: 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
• SMILES: c1cnc(-c2cc3c(s2)CCOC32CCN(c3ccnc4[nH]ncc34)CC2)cn1
• InChI: InChI=1S/C21H20N6OS/c1-5-24-20-14(12-25-26-20)17(1)27-8-3-21(4-9-27)15-11-19(16-13-22-6-7-23-16)29-18(15)2-10-28-21/h1,5-7,11-13H,2-4,8-10H2,(H,24,25,26)
• InChIKey: JTRFFZPLHQQFAW-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?

The IUPAC name of 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 170504131) is 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

What is the SMILES notation for 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?

The canonical SMILES for 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is c1cnc(-c2cc3c(s2)CCOC32CCN(c3ccnc4[nH]ncc34)CC2)cn1.

What is the InChIKey of 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?

The InChIKey is JTRFFZPLHQQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-5-24-20-14(12-25-26-20)17(1)27-8-3-21(4-9-27)15-11-19(16-13-22-6-7-23-16)29-18(15)2-10-28-21/h1,5-7,11-13H,2-4,8-10H2,(H,24,25,26).

What are the key properties of 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?

2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 404.50 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrazin-2-yl-1'-(1H-pyrazolo[3,4-b]pyridin-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 170504131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).