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

C30H33F4N3O5 — CID 122503460

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

N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide (PubChem CID 122503460) has the molecular formula C30H33F4N3O5 and a molecular weight of 591.60 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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide
• PubChem CID: 122503460
• Molecular Formula: C30H33F4N3O5
• Molecular Weight: 591.60 g/mol
• Exact Mass: 591.24
• IUPAC Name: N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide
• SMILES: CCC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(CC[C@@H](C)O)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C30H33F4N3O5/c1-4-28(35)16-42-26-22(28)14-24(37-25(26)19-9-11-21(31)12-10-19)29(40,30(32,33)34)15-36-27(39)20-8-7-18(6-5-17(2)38)23(13-20)41-3/h7-14,17,38,40H,4-6,15-16,35H2,1-3H3,(H,36,39)/t17-,28?,29?/m1/s1
• InChIKey: KSZOSWDWUKZXML-ZFBHLWSGSA-N
• XLogP: 4.35
• TPSA: 126.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.60
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	4
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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide (CID 122503460) is N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide is CCC1(N)COc2c1cc(C(O)(CNC(=O)c1ccc(CC[C@@H](C)O)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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide?

The InChIKey is KSZOSWDWUKZXML-ZFBHLWSGSA-N. The full InChI is InChI=1S/C30H33F4N3O5/c1-4-28(35)16-42-26-22(28)14-24(37-25(26)19-9-11-21(31)12-10-19)29(40,30(32,33)34)15-36-27(39)20-8-7-18(6-5-17(2)38)23(13-20)41-3/h7-14,17,38,40H,4-6,15-16,35H2,1-3H3,(H,36,39)/t17-,28?,29?/m1/s1.

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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide?

N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide has a molecular weight of 591.60 g/mol, XLogP of 4.35, 10 rotatable bonds, 4 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-hydroxypropyl]-4-[(3R)-3-hydroxybutyl]-3-methoxybenzamide is sourced from PubChem (CID 122503460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).