(3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H29FN4O5 — CID 167705611

About (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167705611) has the molecular formula C33H29FN4O5 and a molecular weight of 580.62 g/mol. Its IUPAC name is (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167705611
• Molecular Formula: C33H29FN4O5
• Molecular Weight: 580.62 g/mol
• Exact Mass: 580.21
• IUPAC Name: (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@@](O)(CCC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(C#N)c3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C33H29FN4O5/c1-32(31(36)40)17-42-30-23(32)15-27(38-29(30)19-5-8-24(34)21(13-19)16-35)33(2,41)10-9-25(39)20-12-18-4-3-11-37-28(18)26(14-20)43-22-6-7-22/h3-5,8,11-15,22,41H,6-7,9-10,17H2,1-2H3,(H2,36,40)/t32-,33+/m0/s1
• InChIKey: ZBDDQENKRHMGQF-JHOUSYSJSA-N
• XLogP: 4.85
• TPSA: 148.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.62
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167705611) is (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@@](O)(CCC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(C#N)c3)n1)OC[C@]2(C)C(N)=O.

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

The InChIKey is ZBDDQENKRHMGQF-JHOUSYSJSA-N. The full InChI is InChI=1S/C33H29FN4O5/c1-32(31(36)40)17-42-30-23(32)15-27(38-29(30)19-5-8-24(34)21(13-19)16-35)33(2,41)10-9-25(39)20-12-18-4-3-11-37-28(18)26(14-20)43-22-6-7-22/h3-5,8,11-15,22,41H,6-7,9-10,17H2,1-2H3,(H2,36,40)/t32-,33+/m0/s1.

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

(3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 580.62 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(3-cyano-4-fluorophenyl)-5-[(2R)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167705611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).