2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C33H47N5O4Si — CID 67386679

About 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67386679) has the molecular formula C33H47N5O4Si and a molecular weight of 605.86 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 67386679
• Molecular Formula: C33H47N5O4Si
• Molecular Weight: 605.86 g/mol
• Exact Mass: 605.34
• IUPAC Name: 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)N1CCC(O)(c2ccccc2)CC1
• InChI: InChI=1S/C33H47N5O4Si/c1-32(2,3)28(31(40)37-16-14-33(41,15-17-37)24-10-8-7-9-11-24)36-30(39)25-21-38(22-42-18-19-43(4,5)6)29-27(25)35-26(20-34-29)23-12-13-23/h7-11,20-21,23,28,41H,12-19,22H2,1-6H3,(H,36,39)/t28-/m0/s1
• InChIKey: CDIBCLXSINNIKW-NDEPHWFRSA-N
• XLogP: 5.28
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.86
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67386679) is 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(=O)N1CCC(O)(c2ccccc2)CC1.

What is the InChIKey of 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is CDIBCLXSINNIKW-NDEPHWFRSA-N. The full InChI is InChI=1S/C33H47N5O4Si/c1-32(2,3)28(31(40)37-16-14-33(41,15-17-37)24-10-8-7-9-11-24)36-30(39)25-21-38(22-42-18-19-43(4,5)6)29-27(25)35-26(20-34-29)23-12-13-23/h7-11,20-21,23,28,41H,12-19,22H2,1-6H3,(H,36,39)/t28-/m0/s1.

What are the key properties of 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 605.86 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(2R)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67386679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).