4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide

C37H56FN7O3Si — CID 175896571

About 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide

4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide (PubChem CID 175896571) has the molecular formula C37H56FN7O3Si and a molecular weight of 693.99 g/mol. Its IUPAC name is 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide
• PubChem CID: 175896571
• Molecular Formula: C37H56FN7O3Si
• Molecular Weight: 693.99 g/mol
• Exact Mass: 693.42
• IUPAC Name: 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide
• SMILES: CCn1ncc(C(C(=O)Nc2ncc(-c3c(C)nn(COCC[Si](C)(C)C)c3C)cc2F)C(C2CCCCC2)C2CCCCC2)c1C(N)=O
• InChI: InChI=1S/C37H56FN7O3Si/c1-7-44-34(35(39)46)29(22-41-44)33(32(26-14-10-8-11-15-26)27-16-12-9-13-17-27)37(47)42-36-30(38)20-28(21-40-36)31-24(2)43-45(25(31)3)23-48-18-19-49(4,5)6/h20-22,26-27,32-33H,7-19,23H2,1-6H3,(H2,39,46)(H,40,42,47)
• InChIKey: WUURKPOJYGFPNT-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 129.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.99
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide?

The IUPAC name of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide (CID 175896571) is 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide.

What is the SMILES notation for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide?

The canonical SMILES for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(C(C(=O)Nc2ncc(-c3c(C)nn(COCC[Si](C)(C)C)c3C)cc2F)C(C2CCCCC2)C2CCCCC2)c1C(N)=O.

What is the InChIKey of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide?

The InChIKey is WUURKPOJYGFPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56FN7O3Si/c1-7-44-34(35(39)46)29(22-41-44)33(32(26-14-10-8-11-15-26)27-16-12-9-13-17-27)37(47)42-36-30(38)20-28(21-40-36)31-24(2)43-45(25(31)3)23-48-18-19-49(4,5)6/h20-22,26-27,32-33H,7-19,23H2,1-6H3,(H2,39,46)(H,40,42,47).

What are the key properties of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide?

4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 693.99 g/mol, XLogP of 7.83, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 175896571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).