N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide

C30H45Cl2N7O4Si — CID 167527698

About N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide

N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 167527698) has the molecular formula C30H45Cl2N7O4Si and a molecular weight of 666.73 g/mol. Its IUPAC name is N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
• PubChem CID: 167527698
• Molecular Formula: C30H45Cl2N7O4Si
• Molecular Weight: 666.73 g/mol
• Exact Mass: 665.27
• IUPAC Name: N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
• SMILES: CCc1c(-c2ccc(NC(=O)[C@H](CCCC(Cl)Cl)NC(=O)c3ccnn3CCOC)cn2)c(C)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/C30H45Cl2N7O4Si/c1-7-25-28(21(2)37-39(25)20-43-17-18-44(4,5)6)23-12-11-22(19-33-23)35-29(40)24(9-8-10-27(31)32)36-30(41)26-13-14-34-38(26)15-16-42-3/h11-14,19,24,27H,7-10,15-18,20H2,1-6H3,(H,35,40)(H,36,41)/t24-/m0/s1
• InChIKey: YGZJGYZVZKZSOI-DEOSSOPVSA-N
• XLogP: 5.68
• TPSA: 125.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.73
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide (CID 167527698) is N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide is CCc1c(-c2ccc(NC(=O)[C@H](CCCC(Cl)Cl)NC(=O)c3ccnn3CCOC)cn2)c(C)nn1COCC[Si](C)(C)C.

What is the InChIKey of N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide?

The InChIKey is YGZJGYZVZKZSOI-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H45Cl2N7O4Si/c1-7-25-28(21(2)37-39(25)20-43-17-18-44(4,5)6)23-12-11-22(19-33-23)35-29(40)24(9-8-10-27(31)32)36-30(41)26-13-14-34-38(26)15-16-42-3/h11-14,19,24,27H,7-10,15-18,20H2,1-6H3,(H,35,40)(H,36,41)/t24-/m0/s1.

What are the key properties of N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide?

N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 666.73 g/mol, XLogP of 5.68, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6,6-dichloro-1-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-1-oxohexan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167527698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).