N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine

C42H48N14OSi — CID 161019248

About N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine

N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (PubChem CID 161019248) has the molecular formula C42H48N14OSi and a molecular weight of 793.03 g/mol. Its IUPAC name is N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
• PubChem CID: 161019248
• Molecular Formula: C42H48N14OSi
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.39
• IUPAC Name: N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4ccn[nH]4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)c1
• InChI: InChI=1S/C24H31N7OSi.C18H17N7/c1-17(2)18-13-24(30-26-15-18)29-23-7-6-20-21(28-23)12-19(14-25-20)22-8-9-27-31(22)16-32-10-11-33(3,4)5;1-11(2)12-8-18(25-21-10-12)23-17-4-3-15-16(22-17)7-13(9-19-15)14-5-6-20-24-14/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,28,29,30);3-11H,1-2H3,(H,20,24)(H,22,23,25)
• InChIKey: TYDJFVQKFZPHQE-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 182.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?

The IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (CID 161019248) is N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine.

What is the SMILES notation for N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?

The canonical SMILES for N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4ccn[nH]4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)c1.

What is the InChIKey of N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?

The InChIKey is TYDJFVQKFZPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OSi.C18H17N7/c1-17(2)18-13-24(30-26-15-18)29-23-7-6-20-21(28-23)12-19(14-25-20)22-8-9-27-31(22)16-32-10-11-33(3,4)5;1-11(2)12-8-18(25-21-10-12)23-17-4-3-15-16(22-17)7-13(9-19-15)14-5-6-20-24-14/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,28,29,30);3-11H,1-2H3,(H,20,24)(H,22,23,25).

What are the key properties of N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?

N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine has a molecular weight of 793.03 g/mol, XLogP of 9.14, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-propan-2-ylpyridazin-3-yl)-7-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine;N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 161019248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).