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

C25H18ClF3N6O2S — CID 59156885

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

10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 59156885) has the molecular formula C25H18ClF3N6O2S and a molecular weight of 558.97 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• PubChem CID: 59156885
• Molecular Formula: C25H18ClF3N6O2S
• Molecular Weight: 558.97 g/mol
• Exact Mass: 558.09
• IUPAC Name: 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
• SMILES: Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5cccnc5CC34c3ccc(Cl)cc3)cs2)n1
• InChI: InChI=1S/C25H18ClF3N6O2S/c1-14-11-20(25(27,28)29)35(32-14)23-31-19(13-38-23)22(37)34-10-9-33-21(36)17-3-2-8-30-18(17)12-24(33,34)15-4-6-16(26)7-5-15/h2-8,11,13H,9-10,12H2,1H3
• InChIKey: LHHOEIOLFTUXHW-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 84.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.97
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 59156885) is 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-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 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5cccnc5CC34c3ccc(Cl)cc3)cs2)n1.

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

The InChIKey is LHHOEIOLFTUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N6O2S/c1-14-11-20(25(27,28)29)35(32-14)23-31-19(13-38-23)22(37)34-10-9-33-21(36)17-3-2-8-30-18(17)12-24(33,34)15-4-6-16(26)7-5-15/h2-8,11,13H,9-10,12H2,1H3.

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

10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 558.97 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-1-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 59156885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).