N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C29H31F4N3O5 — CID 139444296

About N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 139444296) has the molecular formula C29H31F4N3O5 and a molecular weight of 577.58 g/mol. Its IUPAC name is N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• PubChem CID: 139444296
• Molecular Formula: C29H31F4N3O5
• Molecular Weight: 577.58 g/mol
• Exact Mass: 577.22
• IUPAC Name: N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• SMILES: CCC1(N)COc2c1cc(C(C)(CNC(=O)c1ccc(OCCO)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C29H31F4N3O5/c1-4-28(34)16-41-25-20(28)14-23(36-24(25)17-5-8-19(30)9-6-17)27(2,29(31,32)33)15-35-26(38)18-7-10-21(40-12-11-37)22(13-18)39-3/h5-10,13-14,37H,4,11-12,15-16,34H2,1-3H3,(H,35,38)
• InChIKey: OTELVENCQDAIRF-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 115.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.58
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The IUPAC name of N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 139444296) is N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

What is the SMILES notation for N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The canonical SMILES for N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is CCC1(N)COc2c1cc(C(C)(CNC(=O)c1ccc(OCCO)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The InChIKey is OTELVENCQDAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N3O5/c1-4-28(34)16-41-25-20(28)14-23(36-24(25)17-5-8-19(30)9-6-17)27(2,29(31,32)33)15-35-26(38)18-7-10-21(40-12-11-37)22(13-18)39-3/h5-10,13-14,37H,4,11-12,15-16,34H2,1-3H3,(H,35,38).

What are the key properties of N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 577.58 g/mol, XLogP of 4.47, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 139444296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).