(3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H31FN4O6 — CID 167580517

About (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167580517) has the molecular formula C32H31FN4O6 and a molecular weight of 586.62 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167580517
• Molecular Formula: C32H31FN4O6
• Molecular Weight: 586.62 g/mol
• Exact Mass: 586.22
• IUPAC Name: (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CC(Oc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)cc2cccnc12)C(N)=O
• InChI: InChI=1S/C32H31FN4O6/c1-17(29(34)39)43-24-14-20(13-19-5-4-12-36-26(19)24)23(38)10-11-32(3,41)25-15-22-28(42-16-31(22,2)30(35)40)27(37-25)18-6-8-21(33)9-7-18/h4-9,12-15,17,41H,10-11,16H2,1-3H3,(H2,34,39)(H2,35,40)/t17?,31-,32-/m0/s1
• InChIKey: HCTWJDDRSDFMAS-IPNOBCFFSA-N
• XLogP: 3.69
• TPSA: 167.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.62
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167580517) is (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CC(Oc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)cc2cccnc12)C(N)=O.

What is the InChIKey of (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is HCTWJDDRSDFMAS-IPNOBCFFSA-N. The full InChI is InChI=1S/C32H31FN4O6/c1-17(29(34)39)43-24-14-20(13-19-5-4-12-36-26(19)24)23(38)10-11-32(3,41)25-15-22-28(42-16-31(22,2)30(35)40)27(37-25)18-6-8-21(33)9-7-18/h4-9,12-15,17,41H,10-11,16H2,1-3H3,(H2,34,39)(H2,35,40)/t17?,31-,32-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 586.62 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167580517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).