(10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

C25H18ClN5O2S — CID 129214551

About (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

(10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 129214551) has the molecular formula C25H18ClN5O2S and a molecular weight of 487.97 g/mol. Its IUPAC name is (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

• Compound Name: (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• PubChem CID: 129214551
• Molecular Formula: C25H18ClN5O2S
• Molecular Weight: 487.97 g/mol
• Exact Mass: 487.09
• IUPAC Name: (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• SMILES: O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3cccnc3C[C@]12c1ccc(Cl)cc1
• InChI: InChI=1S/C25H18ClN5O2S/c26-18-7-5-17(6-8-18)25-13-20-19(4-2-10-28-20)23(32)30(25)11-12-31(25)24(33)21-15-34-22(29-21)16-3-1-9-27-14-16/h1-10,14-15H,11-13H2/t25-/m1/s1
• InChIKey: LDHVQCDZXXNFBS-RUZDIDTESA-N
• XLogP: 4.26
• TPSA: 79.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.97
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The IUPAC name of (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 129214551) is (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

What is the SMILES notation for (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The canonical SMILES for (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3cccnc3C[C@]12c1ccc(Cl)cc1.

What is the InChIKey of (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The InChIKey is LDHVQCDZXXNFBS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H18ClN5O2S/c26-18-7-5-17(6-8-18)25-13-20-19(4-2-10-28-20)23(32)30(25)11-12-31(25)24(33)21-15-34-22(29-21)16-3-1-9-27-14-16/h1-10,14-15H,11-13H2/t25-/m1/s1.

What are the key properties of (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

(10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 487.97 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (10aR)-10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 129214551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).