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

C24H31N7OSi — CID 90288690

IUPACN-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)c1
InChIInChI=1S/C24H31N7OSi/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/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,28,29,30)
InChIKeyGGEYNMUYNGQOKF-UHFFFAOYSA-N
MW461.65 g/mol
LogP5.46
Rot. Bonds9

About 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-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (PubChem CID 90288690) has the molecular formula C24H31N7OSi and a molecular weight of 461.65 g/mol. Its IUPAC name is N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
PubChem CID90288690
Molecular FormulaC24H31N7OSi
Molecular Weight461.65 g/mol
Exact Mass461.24
IUPAC NameN-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)c1
InChIInChI=1S/C24H31N7OSi/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/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,28,29,30)
InChIKeyGGEYNMUYNGQOKF-UHFFFAOYSA-N
XLogP5.46
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine (CID 90288690) is 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-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4ccnn4COCC[Si](C)(C)C)cc3n2)c1.
What is the InChIKey of N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine?
The InChIKey is GGEYNMUYNGQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OSi/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/h6-9,12-15,17H,10-11,16H2,1-5H3,(H,28,29,30).
What are the key properties of 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-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine has a molecular weight of 461.65 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylpyridazin-3-yl)-7-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).