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

C25H21ClN4O2S2 — CID 143649464

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

10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde (PubChem CID 143649464) has the molecular formula C25H21ClN4O2S2 and a molecular weight of 509.06 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde
• PubChem CID: 143649464
• Molecular Formula: C25H21ClN4O2S2
• Molecular Weight: 509.06 g/mol
• Exact Mass: 508.08
• IUPAC Name: 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde
• SMILES: CN1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=Cc1csc(-c2cccs2)n1
• InChI: InChI=1S/C17H16ClN3O.C8H5NOS2/c1-20-9-10-21-16(22)14-3-2-8-19-15(14)11-17(20,21)12-4-6-13(18)7-5-12;10-4-6-5-12-8(9-6)7-2-1-3-11-7/h2-8H,9-11H2,1H3;1-5H
• InChIKey: LVTGUXNLPYCONX-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 66.40 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.06
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde (CID 143649464) is 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde.

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

The canonical SMILES for 10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde is CN1CCN2C(=O)c3cccnc3CC12c1ccc(Cl)cc1.O=Cc1csc(-c2cccs2)n1.

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

The InChIKey is LVTGUXNLPYCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O.C8H5NOS2/c1-20-9-10-21-16(22)14-3-2-8-19-15(14)11-17(20,21)12-4-6-13(18)7-5-12;10-4-6-5-12-8(9-6)7-2-1-3-11-7/h2-8H,9-11H2,1H3;1-5H.

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

10a-(4-chlorophenyl)-1-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde has a molecular weight of 509.06 g/mol, XLogP of 5.22, 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-methyl-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one;2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 143649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).