4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol

C43H62N6O4Si2 — CID 176647653

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol (PubChem CID 176647653) has the molecular formula C43H62N6O4Si2 and a molecular weight of 783.18 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol
• PubChem CID: 176647653
• Molecular Formula: C43H62N6O4Si2
• Molecular Weight: 783.18 g/mol
• Exact Mass: 782.44
• IUPAC Name: 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol
• SMILES: [H]/N=C/c1c(C2(O)CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cc(N2CCOC[C@H]2C)nc1Nc1ccnn1COCC[Si](C)(C)C
• InChI: InChI=1S/C43H62N6O4Si2/c1-33-30-51-25-24-48(33)40-28-38(37(29-44)41(47-40)46-39-20-23-45-49(39)32-52-26-27-54(5,6)7)43(50)21-18-34(19-22-43)31-53-55(42(2,3)4,35-14-10-8-11-15-35)36-16-12-9-13-17-36/h8-17,20,23,28-29,33-34,44,50H,18-19,21-22,24-27,30-32H2,1-7H3,(H,46,47)/b44-29+/t33-,34?,43?/m1/s1
• InChIKey: PSHNPGVERWFCFO-ZGJMOBGKSA-N
• XLogP: 7.51
• TPSA: 117.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.18
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol?

The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol (CID 176647653) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol.

What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol?

The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol is [H]/N=C/c1c(C2(O)CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)cc(N2CCOC[C@H]2C)nc1Nc1ccnn1COCC[Si](C)(C)C.

What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol?

The InChIKey is PSHNPGVERWFCFO-ZGJMOBGKSA-N. The full InChI is InChI=1S/C43H62N6O4Si2/c1-33-30-51-25-24-48(33)40-28-38(37(29-44)41(47-40)46-39-20-23-45-49(39)32-52-26-27-54(5,6)7)43(50)21-18-34(19-22-43)31-53-55(42(2,3)4,35-14-10-8-11-15-35)36-16-12-9-13-17-36/h8-17,20,23,28-29,33-34,44,50H,18-19,21-22,24-27,30-32H2,1-7H3,(H,46,47)/b44-29+/t33-,34?,43?/m1/s1.

What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol?

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol has a molecular weight of 783.18 g/mol, XLogP of 7.51, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-[[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 176647653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).