6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

C23H21ClN6O2 — CID 151488565

About 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (PubChem CID 151488565) has the molecular formula C23H21ClN6O2 and a molecular weight of 448.91 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
• PubChem CID: 151488565
• Molecular Formula: C23H21ClN6O2
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.14
• IUPAC Name: 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
• SMILES: Cn1c(=O)c(C#N)c(N2CCN(Cc3cccc4c3NC(=O)C4)CC2)c2nc(Cl)ccc21
• InChI: InChI=1S/C23H21ClN6O2/c1-28-17-5-6-18(24)26-21(17)22(16(12-25)23(28)32)30-9-7-29(8-10-30)13-15-4-2-3-14-11-19(31)27-20(14)15/h2-6H,7-11,13H2,1H3,(H,27,31)
• InChIKey: PNYZICGAEIUJMW-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?

The IUPAC name of 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (CID 151488565) is 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.

What is the SMILES notation for 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?

The canonical SMILES for 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is Cn1c(=O)c(C#N)c(N2CCN(Cc3cccc4c3NC(=O)C4)CC2)c2nc(Cl)ccc21.

What is the InChIKey of 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?

The InChIKey is PNYZICGAEIUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O2/c1-28-17-5-6-18(24)26-21(17)22(16(12-25)23(28)32)30-9-7-29(8-10-30)13-15-4-2-3-14-11-19(31)27-20(14)15/h2-6H,7-11,13H2,1H3,(H,27,31).

What are the key properties of 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?

6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile has a molecular weight of 448.91 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-methyl-2-oxo-4-[4-[(2-oxo-1,3-dihydroindol-7-yl)methyl]piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 151488565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).