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

C29H28F2N2O5 — CID 167653808

IUPAC(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@](O)(CCC(=O)c1ccc(OC2CC2)c(F)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C29H28F2N2O5/c1-28(27(32)35)15-37-26-20(28)14-24(33-25(26)16-3-6-18(30)7-4-16)29(2,36)12-11-22(34)17-5-10-23(21(31)13-17)38-19-8-9-19/h3-7,10,13-14,19,36H,8-9,11-12,15H2,1-2H3,(H2,32,35)/t28-,29-/m0/s1
InChIKeyQYNHTEMYYRJOJA-VMPREFPWSA-N
MW522.55 g/mol
LogP4.57
Rot. Bonds9

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

(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167653808) has the molecular formula C29H28F2N2O5 and a molecular weight of 522.55 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-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-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167653808
Molecular FormulaC29H28F2N2O5
Molecular Weight522.55 g/mol
Exact Mass522.20
IUPAC Name(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESC[C@](O)(CCC(=O)c1ccc(OC2CC2)c(F)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C29H28F2N2O5/c1-28(27(32)35)15-37-26-20(28)14-24(33-25(26)16-3-6-18(30)7-4-16)29(2,36)12-11-22(34)17-5-10-23(21(31)13-17)38-19-8-9-19/h3-7,10,13-14,19,36H,8-9,11-12,15H2,1-2H3,(H2,32,35)/t28-,29-/m0/s1
InChIKeyQYNHTEMYYRJOJA-VMPREFPWSA-N
XLogP4.57
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R)-5-[(2S)-5-(3-cyclopropyloxy-4-pyridazin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167646813
(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(2-methylpyrimidin-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167673726
(3R)-5-[(2S)-5-[4-cyclopropyloxy-3-(1,3-thiazol-4-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167698559
(3R)-5-[(2S)-5-[4-cyclopropyloxy-3-(1,3-oxazol-2-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167564557
(3R)-5-[(2S)-5-[4-cyclopropyloxy-3-(1,3-thiazol-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167629021
(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
(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-pyrimidin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167668403
(3R)-5-[(2S)-5-(3,4-dicyclopropyloxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167701378
(3R)-5-[(2S)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167580289
(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
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167588532
(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167620517

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-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-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167653808) is (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-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-(4-cyclopropyloxy-3-fluorophenyl)-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-(4-cyclopropyloxy-3-fluorophenyl)-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(OC2CC2)c(F)c1)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.
What is the InChIKey of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is QYNHTEMYYRJOJA-VMPREFPWSA-N. The full InChI is InChI=1S/C29H28F2N2O5/c1-28(27(32)35)15-37-26-20(28)14-24(33-25(26)16-3-6-18(30)7-4-16)29(2,36)12-11-22(34)17-5-10-23(21(31)13-17)38-19-8-9-19/h3-7,10,13-14,19,36H,8-9,11-12,15H2,1-2H3,(H2,32,35)/t28-,29-/m0/s1.
What are the key properties of (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 522.55 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167653808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).