N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C28H39FN8O4Si — CID 168936048

About N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 168936048) has the molecular formula C28H39FN8O4Si and a molecular weight of 598.76 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 168936048
• Molecular Formula: C28H39FN8O4Si
• Molecular Weight: 598.76 g/mol
• Exact Mass: 598.28
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: CC[Si](CC)(CC)c1cc(C(C)n2cc(NC(=O)[C@@H](NC(=O)c3nonc3C)C(C3CC3)C3CC3)c(F)n2)c(=O)[nH]n1
• InChI: InChI=1S/C28H39FN8O4Si/c1-6-42(7-2,8-3)21-13-19(26(38)33-32-21)16(5)37-14-20(25(29)34-37)30-28(40)24(22(17-9-10-17)18-11-12-18)31-27(39)23-15(4)35-41-36-23/h13-14,16-18,22,24H,6-12H2,1-5H3,(H,30,40)(H,31,39)(H,33,38)/t16?,24-/m0/s1
• InChIKey: SOHRHXABULBSHT-ODOSRFNGSA-N
• XLogP: 3.30
• TPSA: 160.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.76
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 168936048) is N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CC[Si](CC)(CC)c1cc(C(C)n2cc(NC(=O)[C@@H](NC(=O)c3nonc3C)C(C3CC3)C3CC3)c(F)n2)c(=O)[nH]n1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is SOHRHXABULBSHT-ODOSRFNGSA-N. The full InChI is InChI=1S/C28H39FN8O4Si/c1-6-42(7-2,8-3)21-13-19(26(38)33-32-21)16(5)37-14-20(25(29)34-37)30-28(40)24(22(17-9-10-17)18-11-12-18)31-27(39)23-15(4)35-41-36-23/h13-14,16-18,22,24H,6-12H2,1-5H3,(H,30,40)(H,31,39)(H,33,38)/t16?,24-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 598.76 g/mol, XLogP of 3.30, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 168936048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).