N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C50H52F2N16O7Si — CID 157112636

About N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157112636) has the molecular formula C50H52F2N16O7Si and a molecular weight of 1055.15 g/mol. Its IUPAC name is N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 157112636
• Molecular Formula: C50H52F2N16O7Si
• Molecular Weight: 1055.15 g/mol
• Exact Mass: 1054.39
• IUPAC Name: N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12)C(=O)N1CC(C#N)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12)C(=O)N1CC(C#N)C1
• InChI: InChI=1S/C28H33FN8O4Si.C22H19FN8O3/c1-17(28(40)35-11-18(9-30)12-35)32-27(39)20-14-36(16-41-7-8-42(2,3)4)26-24(20)33-21(10-31-26)25-22-6-5-19(29)13-37(22)23(15-38)34-25;1-11(22(34)30-7-12(4-24)8-30)27-21(33)14-5-25-20-18(14)28-15(6-26-20)19-16-3-2-13(23)9-31(16)17(10-32)29-19/h5-6,10,13-14,17-18,38H,7-8,11-12,15-16H2,1-4H3,(H,32,39);2-3,5-6,9,11-12,32H,7-8,10H2,1H3,(H,25,26)(H,27,33)/t17-;11-/m11/s1
• InChIKey: AHALWNTWPDEDAR-DYGAJBEPSA-N
• XLogP: 3.79
• TPSA: 302.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.15
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157112636) is N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12)C(=O)N1CC(C#N)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nc(CO)n4cc(F)ccc34)nc12)C(=O)N1CC(C#N)C1.

What is the InChIKey of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is AHALWNTWPDEDAR-DYGAJBEPSA-N. The full InChI is InChI=1S/C28H33FN8O4Si.C22H19FN8O3/c1-17(28(40)35-11-18(9-30)12-35)32-27(39)20-14-36(16-41-7-8-42(2,3)4)26-24(20)33-21(10-31-26)25-22-6-5-19(29)13-37(22)23(15-38)34-25;1-11(22(34)30-7-12(4-24)8-30)27-21(33)14-5-25-20-18(14)28-15(6-26-20)19-16-3-2-13(23)9-31(16)17(10-32)29-19/h5-6,10,13-14,17-18,38H,7-8,11-12,15-16H2,1-4H3,(H,32,39);2-3,5-6,9,11-12,32H,7-8,10H2,1H3,(H,25,26)(H,27,33)/t17-;11-/m11/s1.

What are the key properties of N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1055.15 g/mol, XLogP of 3.79, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[6-fluoro-3-(hydroxymethyl)imidazo[1,5-a]pyridin-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157112636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).