(3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C28H28FN3O5 — CID 167637507

About (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167637507) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167637507
• Molecular Formula: C28H28FN3O5
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.20
• IUPAC Name: (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CNC(=O)c1ccc(OC2CC2)cc1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C28H28FN3O5/c1-27(26(30)34)15-36-24-21(27)13-22(32-23(24)16-3-7-18(29)8-4-16)28(2,35)14-31-25(33)17-5-9-19(10-6-17)37-20-11-12-20/h3-10,13,20,35H,11-12,14-15H2,1-2H3,(H2,30,34)(H,31,33)/t27-,28-/m0/s1
• InChIKey: ORLPRJILRTYYNV-NSOVKSMOSA-N
• XLogP: 3.20
• TPSA: 123.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167637507) is (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CNC(=O)c1ccc(OC2CC2)cc1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

What is the InChIKey of (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is ORLPRJILRTYYNV-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H28FN3O5/c1-27(26(30)34)15-36-24-21(27)13-22(32-23(24)16-3-7-18(29)8-4-16)28(2,35)14-31-25(33)17-5-9-19(10-6-17)37-20-11-12-20/h3-10,13,20,35H,11-12,14-15H2,1-2H3,(H2,30,34)(H,31,33)/t27-,28-/m0/s1.

What are the key properties of (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-1-[(4-cyclopropyloxybenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167637507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).