(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide

C32H29F3N2O6 — CID 167664692

About (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167664692) has the molecular formula C32H29F3N2O6 and a molecular weight of 594.59 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167664692
• Molecular Formula: C32H29F3N2O6
• Molecular Weight: 594.59 g/mol
• Exact Mass: 594.20
• IUPAC Name: (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(C#Cc4cc(F)c(F)c(F)c4)n2)OC[C@]3(C)C(N)=O)ccc1OC1CC1
• InChI: InChI=1S/C32H29F3N2O6/c1-31(30(36)39)16-42-29-20(31)15-27(37-23(29)8-4-17-12-21(33)28(35)22(34)13-17)32(2,40)11-10-24(38)18-5-9-25(26(14-18)41-3)43-19-6-7-19/h5,9,12-15,19,40H,6-7,10-11,16H2,1-3H3,(H2,36,39)/t31-,32-/m0/s1
• InChIKey: SLLYWLSPOWHAHM-ACHIHNKUSA-N
• XLogP: 4.45
• TPSA: 120.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.59
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167664692) is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(C#Cc4cc(F)c(F)c(F)c4)n2)OC[C@]3(C)C(N)=O)ccc1OC1CC1.

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

The InChIKey is SLLYWLSPOWHAHM-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H29F3N2O6/c1-31(30(36)39)16-42-29-20(31)15-27(37-23(29)8-4-17-12-21(33)28(35)22(34)13-17)32(2,40)11-10-24(38)18-5-9-25(26(14-18)41-3)43-19-6-7-19/h5,9,12-15,19,40H,6-7,10-11,16H2,1-3H3,(H2,36,39)/t31-,32-/m0/s1.

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

(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 594.59 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167664692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).