7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H27N9 — CID 118510246

About 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118510246) has the molecular formula C26H27N9 and a molecular weight of 465.57 g/mol. Its IUPAC name is 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 118510246
• Molecular Formula: C26H27N9
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.24
• IUPAC Name: 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4CN(C)c4cccnc4)cc3n2)c1
• InChI: InChI=1S/C26H27N9/c1-17(2)18-11-26(32-29-13-18)31-25-8-7-22-23(30-25)10-19(12-28-22)21-15-35(4)33-24(21)16-34(3)20-6-5-9-27-14-20/h5-15,17H,16H2,1-4H3,(H,30,31,32)
• InChIKey: QRJZCCMIHRQBSI-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 97.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118510246) is 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4CN(C)c4cccnc4)cc3n2)c1.

What is the InChIKey of 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is QRJZCCMIHRQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9/c1-17(2)18-11-26(32-29-13-18)31-25-8-7-22-23(30-25)10-19(12-28-22)21-15-35(4)33-24(21)16-34(3)20-6-5-9-27-14-20/h5-15,17H,16H2,1-4H3,(H,30,31,32).

What are the key properties of 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 465.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118510246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).