N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C38H56N14O3Si — CID 159118122

About N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159118122) has the molecular formula C38H56N14O3Si and a molecular weight of 785.05 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159118122
• Molecular Formula: C38H56N14O3Si
• Molecular Weight: 785.05 g/mol
• Exact Mass: 784.44
• IUPAC Name: N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1.Cc1nc2c(nc1Nc1cnn(C)c1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C
• InChI: InChI=1S/C22H35N7O2Si.C16H21N7O/c1-15-19(25-16-11-23-28(5)12-16)26-18-17(21(30)27-22(2,3)4)13-29(20(18)24-15)14-31-9-10-32(6,7)8;1-9-13(20-10-6-18-23(5)8-10)21-12-11(7-17-14(12)19-9)15(24)22-16(2,3)4/h11-13H,9-10,14H2,1-8H3,(H,25,26)(H,27,30);6-8H,1-5H3,(H,17,19)(H,20,21)(H,22,24)
• InChIKey: KFINDGYWBDVULK-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 199.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.05
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159118122) is N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1cnn(C)c1.Cc1nc2c(nc1Nc1cnn(C)c1)c(C(=O)NC(C)(C)C)cn2COCC[Si](C)(C)C.

What is the InChIKey of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is KFINDGYWBDVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O2Si.C16H21N7O/c1-15-19(25-16-11-23-28(5)12-16)26-18-17(21(30)27-22(2,3)4)13-29(20(18)24-15)14-31-9-10-32(6,7)8;1-9-13(20-10-6-18-23(5)8-10)21-12-11(7-17-14(12)19-9)15(24)22-16(2,3)4/h11-13H,9-10,14H2,1-8H3,(H,25,26)(H,27,30);6-8H,1-5H3,(H,17,19)(H,20,21)(H,22,24).

What are the key properties of N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 785.05 g/mol, XLogP of 6.33, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-3-methyl-2-[(1-methylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159118122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).