2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

C37H30FN5O4 — CID 58472485

About 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 58472485) has the molecular formula C37H30FN5O4 and a molecular weight of 627.68 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 58472485
• Molecular Formula: C37H30FN5O4
• Molecular Weight: 627.68 g/mol
• Exact Mass: 627.23
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OCc4cnccn4)cc3C)cc12
• InChI: InChI=1S/C37H30FN5O4/c1-22-17-31(46-21-26-20-40-15-16-41-26)29(35(44)43-37(12-13-37)32-5-3-4-14-42-32)19-27(22)24-8-11-30-28(18-24)33(36(45)39-2)34(47-30)23-6-9-25(38)10-7-23/h3-11,14-20H,12-13,21H2,1-2H3,(H,39,45)(H,43,44)
• InChIKey: HZWOTOSIRUWBCM-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 119.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.68
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 58472485) is 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OCc4cnccn4)cc3C)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is HZWOTOSIRUWBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FN5O4/c1-22-17-31(46-21-26-20-40-15-16-41-26)29(35(44)43-37(12-13-37)32-5-3-4-14-42-32)19-27(22)24-8-11-30-28(18-24)33(36(45)39-2)34(47-30)23-6-9-25(38)10-7-23/h3-11,14-20H,12-13,21H2,1-2H3,(H,39,45)(H,43,44).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 627.68 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 58472485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).