N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide

C31H43FN6O4Si — CID 168868994

About N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 168868994) has the molecular formula C31H43FN6O4Si and a molecular weight of 610.81 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 168868994
• Molecular Formula: C31H43FN6O4Si
• Molecular Weight: 610.81 g/mol
• Exact Mass: 610.31
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2C)c(F)n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C31H43FN6O4Si/c1-7-24-23(16-42-37-24)30(39)35-28(27(20-8-9-20)21-10-11-21)31(40)34-25-13-12-22(29(32)33-25)26-18(2)36-38(19(26)3)17-41-14-15-43(4,5)6/h12-13,16,20-21,27-28H,7-11,14-15,17H2,1-6H3,(H,35,39)(H,33,34,40)/t28-/m0/s1
• InChIKey: FOTBLWLVCZGHNB-NDEPHWFRSA-N
• XLogP: 5.74
• TPSA: 124.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.81
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 168868994) is N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2C)c(F)n1)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

The InChIKey is FOTBLWLVCZGHNB-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H43FN6O4Si/c1-7-24-23(16-42-37-24)30(39)35-28(27(20-8-9-20)21-10-11-21)31(40)34-25-13-12-22(29(32)33-25)26-18(2)36-38(19(26)3)17-41-14-15-43(4,5)6/h12-13,16,20-21,27-28H,7-11,14-15,17H2,1-6H3,(H,35,39)(H,33,34,40)/t28-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 610.81 g/mol, XLogP of 5.74, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 168868994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).