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

C33H33ClFN3O5 — CID 167698562

IUPAC(3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(Cl)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C33H33ClFN3O5/c1-31(2,41)17-37-30(40)32(3)18-43-29-23(32)16-26(38-28(29)19-7-9-22(35)10-8-19)33(4,42)12-11-25(39)21-14-20-6-5-13-36-27(20)24(34)15-21/h5-10,13-16,41-42H,11-12,17-18H2,1-4H3,(H,37,40)/t32-,33-/m0/s1
InChIKeyYAHPNGYJWTVGMR-LQJZCPKCSA-N
MW606.09 g/mol
LogP5.50
Rot. Bonds9

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

(3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167698562) has the molecular formula C33H33ClFN3O5 and a molecular weight of 606.09 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167698562
Molecular FormulaC33H33ClFN3O5
Molecular Weight606.09 g/mol
Exact Mass605.21
IUPAC Name(3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(Cl)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C33H33ClFN3O5/c1-31(2,41)17-37-30(40)32(3)18-43-29-23(32)16-26(38-28(29)19-7-9-22(35)10-8-19)33(4,42)12-11-25(39)21-14-20-6-5-13-36-27(20)24(34)15-21/h5-10,13-16,41-42H,11-12,17-18H2,1-4H3,(H,37,40)/t32-,33-/m0/s1
InChIKeyYAHPNGYJWTVGMR-LQJZCPKCSA-N
XLogP5.50
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.09
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167678105
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-N-[(1-methylcyclopropyl)methyl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167697992
(3R)-5-[(2S)-5-[8-(carbamoylamino)quinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N,3-dimethyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167646595
(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167566869
(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-N-(2-oxobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167709851
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[8-(2-hydroxy-2-methylpropoxy)quinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167588915
(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167684902
(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167621611
(3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167580517
(3R)-5-[(2S)-5-(4-carbamoyl-2-pyridinyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167603683
(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
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167698562) is (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CC(C)(O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(Cl)c3ncccc3c1)nc2-c1ccc(F)cc1.
What is the InChIKey of (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is YAHPNGYJWTVGMR-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H33ClFN3O5/c1-31(2,41)17-37-30(40)32(3)18-43-29-23(32)16-26(38-28(29)19-7-9-22(35)10-8-19)33(4,42)12-11-25(39)21-14-20-6-5-13-36-27(20)24(34)15-21/h5-10,13-16,41-42H,11-12,17-18H2,1-4H3,(H,37,40)/t32-,33-/m0/s1.
What are the key properties of (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 606.09 g/mol, XLogP of 5.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S)-5-(8-chloroquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167698562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).