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

C32H29F2N3O5 — CID 167532212

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

(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167532212) has the molecular formula C32H29F2N3O5 and a molecular weight of 573.60 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167532212
• Molecular Formula: C32H29F2N3O5
• Molecular Weight: 573.60 g/mol
• Exact Mass: 573.21
• IUPAC Name: (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CCC(=O)c1cc(OC2CC2)c2ncccc2c1)c1cc2c(c(-c3ccc(F)c(F)c3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C32H29F2N3O5/c1-31(30(35)39)16-41-29-21(31)15-26(37-28(29)18-5-8-22(33)23(34)13-18)32(2,40)10-9-24(38)19-12-17-4-3-11-36-27(17)25(14-19)42-20-6-7-20/h3-5,8,11-15,20,40H,6-7,9-10,16H2,1-2H3,(H2,35,39)/t31-,32-/m0/s1
• InChIKey: ACTZUBIODQLOIL-ACHIHNKUSA-N
• XLogP: 5.12
• TPSA: 124.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167532212) is (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

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

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

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

The InChIKey is ACTZUBIODQLOIL-ACHIHNKUSA-N. The full InChI is InChI=1S/C32H29F2N3O5/c1-31(30(35)39)16-41-29-21(31)15-26(37-28(29)18-5-8-22(33)23(34)13-18)32(2,40)10-9-24(38)19-12-17-4-3-11-36-27(17)25(14-19)42-20-6-7-20/h3-5,8,11-15,20,40H,6-7,9-10,16H2,1-2H3,(H2,35,39)/t31-,32-/m0/s1.

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

(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 573.60 g/mol, XLogP of 5.12, 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-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167532212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).