N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine

C28H38N6OSi — CID 142603727

About N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 142603727) has the molecular formula C28H38N6OSi and a molecular weight of 502.74 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 142603727
• Molecular Formula: C28H38N6OSi
• Molecular Weight: 502.74 g/mol
• Exact Mass: 502.29
• IUPAC Name: N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine
• SMILES: Cn1cc(-c2nn(-c3ccccc3)c3cc(NC4CCC(O[Si](C)(C)C(C)(C)C)CC4)ncc23)cn1
• InChI: InChI=1S/C28H38N6OSi/c1-28(2,3)36(5,6)35-23-14-12-21(13-15-23)31-26-16-25-24(18-29-26)27(20-17-30-33(4)19-20)32-34(25)22-10-8-7-9-11-22/h7-11,16-19,21,23H,12-15H2,1-6H3,(H,29,31)
• InChIKey: GTLMIESTDBDBEB-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.74
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine (CID 142603727) is N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(-c3ccccc3)c3cc(NC4CCC(O[Si](C)(C)C(C)(C)C)CC4)ncc23)cn1.

What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is GTLMIESTDBDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6OSi/c1-28(2,3)36(5,6)35-23-14-12-21(13-15-23)31-26-16-25-24(18-29-26)27(20-17-30-33(4)19-20)32-34(25)22-10-8-7-9-11-22/h7-11,16-19,21,23H,12-15H2,1-6H3,(H,29,31).

What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine?

N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 502.74 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(1-methylpyrazol-4-yl)-1-phenylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 142603727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).