N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C52H62F4N12O5Si — CID 158032260

About N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158032260) has the molecular formula C52H62F4N12O5Si and a molecular weight of 1039.22 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158032260
• Molecular Formula: C52H62F4N12O5Si
• Molecular Weight: 1039.22 g/mol
• Exact Mass: 1038.47
• IUPAC Name: N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC4CC4)c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4CC4)c4ccc(OC(F)F)cc34)nc12
• InChI: InChI=1S/C29H38F2N6O3Si.C23H24F2N6O2/c1-29(2,3)34-27(38)21-16-36(17-39-11-12-41(4,5)6)26-25(21)33-22(14-32-26)24-20-13-19(40-28(30)31)9-10-23(20)37(35-24)15-18-7-8-18;1-23(2,3)29-21(32)15-9-26-20-19(15)28-16(10-27-20)18-14-8-13(33-22(24)25)6-7-17(14)31(30-18)11-12-4-5-12/h9-10,13-14,16,18,28H,7-8,11-12,15,17H2,1-6H3,(H,34,38);6-10,12,22H,4-5,11H2,1-3H3,(H,26,27)(H,29,32)
• InChIKey: FHHZJILEWFYIDQ-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 193.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.22
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
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-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158032260) is N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC4CC4)c4ccc(OC(F)F)cc34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4CC4)c4ccc(OC(F)F)cc34)nc12.

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

The InChIKey is FHHZJILEWFYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F2N6O3Si.C23H24F2N6O2/c1-29(2,3)34-27(38)21-16-36(17-39-11-12-41(4,5)6)26-25(21)33-22(14-32-26)24-20-13-19(40-28(30)31)9-10-23(20)37(35-24)15-18-7-8-18;1-23(2,3)29-21(32)15-9-26-20-19(15)28-16(10-27-20)18-14-8-13(33-22(24)25)6-7-17(14)31(30-18)11-12-4-5-12/h9-10,13-14,16,18,28H,7-8,11-12,15,17H2,1-6H3,(H,34,38);6-10,12,22H,4-5,11H2,1-3H3,(H,26,27)(H,29,32).

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

N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1039.22 g/mol, XLogP of 10.81, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[1-(cyclopropylmethyl)-5-(difluoromethoxy)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158032260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).