[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate

C28H20ClN5O3 — CID 137438498

About [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate

[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate (PubChem CID 137438498) has the molecular formula C28H20ClN5O3 and a molecular weight of 509.95 g/mol. Its IUPAC name is [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate.

Molecular Properties

• Compound Name: [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
• PubChem CID: 137438498
• Molecular Formula: C28H20ClN5O3
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.13
• IUPAC Name: [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
• SMILES: Cn1cccc1CC(=O)Oc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O
• InChI: InChI=1S/C28H20ClN5O3/c1-34-9-5-8-20(34)14-24(35)37-23-13-18-11-21(17-10-19-15-30-33-26(19)22(29)12-17)25(16-6-3-2-4-7-16)31-27(18)32-28(23)36/h2-13,15H,14H2,1H3,(H,30,33)(H,31,32,36)
• InChIKey: ONNHMQGGSBBKQG-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 105.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate?

The IUPAC name of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate (CID 137438498) is [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate.

What is the SMILES notation for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate?

The canonical SMILES for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate is Cn1cccc1CC(=O)Oc1cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2[nH]c1=O.

What is the InChIKey of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate?

The InChIKey is ONNHMQGGSBBKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN5O3/c1-34-9-5-8-20(34)14-24(35)37-23-13-18-11-21(17-10-19-15-30-33-26(19)22(29)12-17)25(16-6-3-2-4-7-16)31-27(18)32-28(23)36/h2-13,15H,14H2,1H3,(H,30,33)(H,31,32,36).

What are the key properties of [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate?

[6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate has a molecular weight of 509.95 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(7-chloro-1H-indazol-5-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate is sourced from PubChem (CID 137438498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).