(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H30FN3O6 — CID 167697272

About (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167697272) has the molecular formula C32H30FN3O6 and a molecular weight of 571.61 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-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-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167697272
• Molecular Formula: C32H30FN3O6
• Molecular Weight: 571.61 g/mol
• Exact Mass: 571.21
• IUPAC Name: (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CCC(=O)c1ccc(-c2cocn2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C32H30FN3O6/c1-31(30(34)38)16-41-29-23(31)14-27(36-28(29)18-3-6-20(33)7-4-18)32(2,39)12-11-25(37)19-5-10-22(24-15-40-17-35-24)26(13-19)42-21-8-9-21/h3-7,10,13-15,17,21,39H,8-9,11-12,16H2,1-2H3,(H2,34,38)/t31-,32-/m0/s1
• InChIKey: XVQCPLUGHHDHJW-ACHIHNKUSA-N
• XLogP: 5.09
• TPSA: 137.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.61
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-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-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167697272) is (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-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-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-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-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CCC(=O)c1ccc(-c2cocn2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

What is the InChIKey of (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is XVQCPLUGHHDHJW-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H30FN3O6/c1-31(30(34)38)16-41-29-23(31)14-27(36-28(29)18-3-6-20(33)7-4-18)32(2,39)12-11-25(37)19-5-10-22(24-15-40-17-35-24)26(13-19)42-21-8-9-21/h3-7,10,13-15,17,21,39H,8-9,11-12,16H2,1-2H3,(H2,34,38)/t31-,32-/m0/s1.

What are the key properties of (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 571.61 g/mol, XLogP of 5.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(1,3-oxazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167697272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).