5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C34H29FN4O6 — CID 59275469

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

5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275469) has the molecular formula C34H29FN4O6 and a molecular weight of 608.63 g/mol. Its IUPAC name is 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 59275469
• Molecular Formula: C34H29FN4O6
• Molecular Weight: 608.63 g/mol
• Exact Mass: 608.21
• IUPAC Name: 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC)cc3OCC(N)=O)cc12
• InChI: InChI=1S/C34H29FN4O6/c1-37-33(42)30-23-15-20(8-11-25(23)45-31(30)19-6-9-21(35)10-7-19)22-16-24(26(43-2)17-27(22)44-18-29(36)40)32(41)39-34(12-13-34)28-5-3-4-14-38-28/h3-11,14-17H,12-13,18H2,1-2H3,(H2,36,40)(H,37,42)(H,39,41)
• InChIKey: WFKHWLHEOGBJIU-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 145.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.63
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 59275469) is 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC)cc3OCC(N)=O)cc12.

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

The InChIKey is WFKHWLHEOGBJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN4O6/c1-37-33(42)30-23-15-20(8-11-25(23)45-31(30)19-6-9-21(35)10-7-19)22-16-24(26(43-2)17-27(22)44-18-29(36)40)32(41)39-34(12-13-34)28-5-3-4-14-38-28/h3-11,14-17H,12-13,18H2,1-2H3,(H2,36,40)(H,37,42)(H,39,41).

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

5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 608.63 g/mol, XLogP of 4.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).