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

C32H47N7O3Si — CID 168869057

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

N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 168869057) has the molecular formula C32H47N7O3Si and a molecular weight of 605.86 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 168869057
• Molecular Formula: C32H47N7O3Si
• Molecular Weight: 605.86 g/mol
• Exact Mass: 605.35
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3CC)C(C3CC3)C3CC3)cn2)c(C)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/C32H47N7O3Si/c1-7-26-28(21(3)37-39(26)20-42-17-18-43(4,5)6)25-14-13-24(19-33-25)35-32(41)30(29(22-9-10-22)23-11-12-23)36-31(40)27-15-16-34-38(27)8-2/h13-16,19,22-23,29-30H,7-12,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/t30-/m0/s1
• InChIKey: LWDRGZSUMMAZSA-PMERELPUSA-N
• XLogP: 5.52
• TPSA: 115.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.86
LogP ≤ 5	5.52
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 N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (CID 168869057) is N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is CCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3CC)C(C3CC3)C3CC3)cn2)c(C)nn1COCC[Si](C)(C)C.

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

The InChIKey is LWDRGZSUMMAZSA-PMERELPUSA-N. The full InChI is InChI=1S/C32H47N7O3Si/c1-7-26-28(21(3)37-39(26)20-42-17-18-43(4,5)6)25-14-13-24(19-33-25)35-32(41)30(29(22-9-10-22)23-11-12-23)36-31(40)27-15-16-34-38(27)8-2/h13-16,19,22-23,29-30H,7-12,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/t30-/m0/s1.

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

N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 605.86 g/mol, XLogP of 5.52, 15 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-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 168869057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).