2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide

C26H37F2N5O2Si — CID 169015688

About 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide

2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide (PubChem CID 169015688) has the molecular formula C26H37F2N5O2Si and a molecular weight of 517.70 g/mol. Its IUPAC name is 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide
• PubChem CID: 169015688
• Molecular Formula: C26H37F2N5O2Si
• Molecular Weight: 517.70 g/mol
• Exact Mass: 517.27
• IUPAC Name: 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide
• SMILES: Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1cnc(NC(=O)C(N)=C(C2CC2)C2CC2)cc1C(F)F
• InChI: InChI=1S/C26H37F2N5O2Si/c1-15-22(16(2)33(32-15)14-35-10-11-36(3,4)5)20-13-30-21(12-19(20)25(27)28)31-26(34)24(29)23(17-6-7-17)18-8-9-18/h12-13,17-18,25H,6-11,14,29H2,1-5H3,(H,30,31,34)
• InChIKey: JGVDLCFOTMUECH-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.70
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide?

The IUPAC name of 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide (CID 169015688) is 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide.

What is the SMILES notation for 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide?

The canonical SMILES for 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide is Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1cnc(NC(=O)C(N)=C(C2CC2)C2CC2)cc1C(F)F.

What is the InChIKey of 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide?

The InChIKey is JGVDLCFOTMUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F2N5O2Si/c1-15-22(16(2)33(32-15)14-35-10-11-36(3,4)5)20-13-30-21(12-19(20)25(27)28)31-26(34)24(29)23(17-6-7-17)18-8-9-18/h12-13,17-18,25H,6-11,14,29H2,1-5H3,(H,30,31,34).

What are the key properties of 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide?

2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide has a molecular weight of 517.70 g/mol, XLogP of 5.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3,3-dicyclopropyl-N-[4-(difluoromethyl)-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 169015688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).