About 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile (PubChem CID 142560019) has the molecular formula C23H31ClN6OSi
and a molecular weight of 471.08 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile.
Molecular Properties
| Compound Name | 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile |
|---|
| PubChem CID | 142560019 |
|---|
| Molecular Formula | C23H31ClN6OSi |
|---|
| Molecular Weight | 471.08 g/mol |
|---|
| Exact Mass | 470.20 |
|---|
| IUPAC Name | 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile |
|---|
| SMILES | Cc1cc(C#N)ncc1N(CC(C)O[Si](C)(C)C(C)(C)C)c1cc(Cl)c2ncn(C)c2n1 |
|---|
| InChI | InChI=1S/C23H31ClN6OSi/c1-15-9-17(11-25)26-12-19(15)30(13-16(2)31-32(7,8)23(3,4)5)20-10-18(24)21-22(28-20)29(6)14-27-21/h9-10,12,14,16H,13H2,1-8H3 |
|---|
| InChIKey | BRJRJVVMPNZMQX-UHFFFAOYSA-N |
|---|
| XLogP | 5.75 |
|---|
| TPSA | 79.86 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 471.08 |
| LogP ≤ 5 | 5.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile (CID 142560019) is 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1N(CC(C)O[Si](C)(C)C(C)(C)C)c1cc(Cl)c2ncn(C)c2n1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile?
The InChIKey is BRJRJVVMPNZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6OSi/c1-15-9-17(11-25)26-12-19(15)30(13-16(2)31-32(7,8)23(3,4)5)20-10-18(24)21-22(28-20)29(6)14-27-21/h9-10,12,14,16H,13H2,1-8H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile?
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile has a molecular weight of 471.08 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxypropyl-(7-chloro-3-methylimidazo[4,5-b]pyridin-5-yl)amino]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 142560019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).