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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide

C32H46FN7O4Si — CID 168869076

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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide (PubChem CID 168869076) has the molecular formula C32H46FN7O4Si and a molecular weight of 639.85 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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide
• PubChem CID: 168869076
• Molecular Formula: C32H46FN7O4Si
• Molecular Weight: 639.85 g/mol
• Exact Mass: 639.34
• 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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide
• SMILES: Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2[C@@H](C)CO)C(C2CC2)C2CC2)nc1F
• InChI: InChI=1S/C32H46FN7O4Si/c1-19(17-41)40-25(13-14-34-40)31(42)37-29(28(22-7-8-22)23-9-10-23)32(43)36-26-12-11-24(30(33)35-26)27-20(2)38-39(21(27)3)18-44-15-16-45(4,5)6/h11-14,19,22-23,28-29,41H,7-10,15-18H2,1-6H3,(H,37,42)(H,35,36,43)/t19-,29-/m0/s1
• InChIKey: QMDSIWMFYCHLKW-SLQAJWMNSA-N
• XLogP: 4.94
• TPSA: 136.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	639.85
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide (CID 168869076) 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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide is Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2[C@@H](C)CO)C(C2CC2)C2CC2)nc1F.

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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide?

The InChIKey is QMDSIWMFYCHLKW-SLQAJWMNSA-N. The full InChI is InChI=1S/C32H46FN7O4Si/c1-19(17-41)40-25(13-14-34-40)31(42)37-29(28(22-7-8-22)23-9-10-23)32(43)36-26-12-11-24(30(33)35-26)27-20(2)38-39(21(27)3)18-44-15-16-45(4,5)6/h11-14,19,22-23,28-29,41H,7-10,15-18H2,1-6H3,(H,37,42)(H,35,36,43)/t19-,29-/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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-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]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 639.85 g/mol, XLogP of 4.94, 15 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-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-[(2S)-1-hydroxypropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 168869076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).