N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide

C41H41FN8O5 — CID 170354586

About N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 170354586) has the molecular formula C41H41FN8O5 and a molecular weight of 744.83 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 170354586
• Molecular Formula: C41H41FN8O5
• Molecular Weight: 744.83 g/mol
• Exact Mass: 744.32
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: CCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2c(F)c(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1
• InChI: InChI=1S/C41H41FN8O5/c1-7-50-37(38(26(3)47-50)55-24-28-11-9-8-10-12-28)40-46-45-39(49(40)23-27-13-16-30(52-4)17-14-27)34-32-21-43-25(2)22-48(32)36(35(34)42)41(51)44-20-29-15-18-31(53-5)19-33(29)54-6/h8-19,21-22H,7,20,23-24H2,1-6H3,(H,44,51)
• InChIKey: RUIUMSOLUUKQPE-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 131.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	744.83
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide (CID 170354586) is N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide is CCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2c(F)c(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is RUIUMSOLUUKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41FN8O5/c1-7-50-37(38(26(3)47-50)55-24-28-11-9-8-10-12-28)40-46-45-39(49(40)23-27-13-16-30(52-4)17-14-27)34-32-21-43-25(2)22-48(32)36(35(34)42)41(51)44-20-29-15-18-31(53-5)19-33(29)54-6/h8-19,21-22H,7,20,23-24H2,1-6H3,(H,44,51).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?

N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 744.83 g/mol, XLogP of 6.82, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 170354586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).