1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

C20H19N3O4S — CID 164694845

About 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid

1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (PubChem CID 164694845) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.

Molecular Properties

• Compound Name: 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
• PubChem CID: 164694845
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.11
• IUPAC Name: 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
• SMILES: O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2ccc3nccn3c2)CC1
• InChI: InChI=1S/C20H19N3O4S/c24-18(13-1-2-17-21-6-9-23(17)12-13)22-7-4-20(5-8-22)14-11-16(19(25)26)28-15(14)3-10-27-20/h1-2,6,9,11-12H,3-5,7-8,10H2,(H,25,26)
• InChIKey: DTVWLPKGKPCPEX-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?

The IUPAC name of 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid (CID 164694845) is 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid.

What is the SMILES notation for 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?

The canonical SMILES for 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)c2ccc3nccn3c2)CC1.

What is the InChIKey of 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?

The InChIKey is DTVWLPKGKPCPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-18(13-1-2-17-21-6-9-23(17)12-13)22-7-4-20(5-8-22)14-11-16(19(25)26)28-15(14)3-10-27-20/h1-2,6,9,11-12H,3-5,7-8,10H2,(H,25,26).

What are the key properties of 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid?

1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid has a molecular weight of 397.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(imidazo[1,2-a]pyridine-6-carbonyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid is sourced from PubChem (CID 164694845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).