10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C26H18ClFN4O2S — CID 25063079

About 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 25063079) has the molecular formula C26H18ClFN4O2S and a molecular weight of 504.97 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• PubChem CID: 25063079
• Molecular Formula: C26H18ClFN4O2S
• Molecular Weight: 504.97 g/mol
• Exact Mass: 504.08
• IUPAC Name: 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• SMILES: O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3cccc(F)c3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C26H18ClFN4O2S/c27-18-8-6-17(7-9-18)26-13-20-19(4-1-5-21(20)28)24(33)31(26)11-12-32(26)25(34)22-15-35-23(30-22)16-3-2-10-29-14-16/h1-10,14-15H,11-13H2
• InChIKey: RXYLDQDEBHQITI-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.97
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 25063079) is 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3cccc(F)c3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The InChIKey is RXYLDQDEBHQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN4O2S/c27-18-8-6-17(7-9-18)26-13-20-19(4-1-5-21(20)28)24(33)31(26)11-12-32(26)25(34)22-15-35-23(30-22)16-3-2-10-29-14-16/h1-10,14-15H,11-13H2.

What are the key properties of 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 504.97 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-9-fluoro-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 25063079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).