(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

C33H32F4N2O6 — CID 167701378

IUPAC(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
SMILESC[C@](O)(CCC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)c(C(F)(F)F)c3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C33H32F4N2O6/c1-31(30(38)41)16-43-29-22(31)15-27(39-28(29)18-3-9-23(34)21(13-18)33(35,36)37)32(2,42)12-11-24(40)17-4-10-25(44-19-5-6-19)26(14-17)45-20-7-8-20/h3-4,9-10,13-15,19-20,42H,5-8,11-12,16H2,1-2H3,(H2,38,41)/t31-,32-/m0/s1
InChIKeyYLBQLYMBOKOXDK-ACHIHNKUSA-N
MW628.62 g/mol
LogP5.99
Rot. Bonds11

About (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

(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 (PubChem CID 167701378) has the molecular formula C33H32F4N2O6 and a molecular weight of 628.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167701378
Molecular FormulaC33H32F4N2O6
Molecular Weight628.62 g/mol
Exact Mass628.22
IUPAC Name(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
SMILESC[C@](O)(CCC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)c(C(F)(F)F)c3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C33H32F4N2O6/c1-31(30(38)41)16-43-29-22(31)15-27(39-28(29)18-3-9-23(34)21(13-18)33(35,36)37)32(2,42)12-11-24(40)17-4-10-25(44-19-5-6-19)26(14-17)45-20-7-8-20/h3-4,9-10,13-15,19-20,42H,5-8,11-12,16H2,1-2H3,(H2,38,41)/t31-,32-/m0/s1
InChIKeyYLBQLYMBOKOXDK-ACHIHNKUSA-N
XLogP5.99
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.62
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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
(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)-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-[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-(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-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-[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)-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
(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
4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-cyclopropyloxy-3-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one
CID 157444092

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@](O)(CCC(=O)c1ccc(OC2CC2)c(OC2CC2)c1)c1cc2c(c(-c3ccc(F)c(C(F)(F)F)c3)n1)OC[C@]2(C)C(N)=O.
What is the InChIKey of (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?
The InChIKey is YLBQLYMBOKOXDK-ACHIHNKUSA-N. The full InChI is InChI=1S/C33H32F4N2O6/c1-31(30(38)41)16-43-29-22(31)15-27(39-28(29)18-3-9-23(34)21(13-18)33(35,36)37)32(2,42)12-11-24(40)17-4-10-25(44-19-5-6-19)26(14-17)45-20-7-8-20/h3-4,9-10,13-15,19-20,42H,5-8,11-12,16H2,1-2H3,(H2,38,41)/t31-,32-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 628.62 g/mol, XLogP of 5.99, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167701378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).