(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

C36H36FN3O6 — CID 167709851

IUPAC(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
SMILESCCC(=O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C36H36FN3O6/c1-4-25(41)19-39-34(43)35(2)20-45-33-27(35)18-30(40-32(33)21-7-9-24(37)10-8-21)36(3,44)14-13-28(42)23-16-22-6-5-15-38-31(22)29(17-23)46-26-11-12-26/h5-10,15-18,26,44H,4,11-14,19-20H2,1-3H3,(H,39,43)/t35-,36-/m0/s1
InChIKeyZQUFMSGCLXAPTE-ZPGRZCPFSA-N
MW625.70 g/mol
LogP5.59
Rot. Bonds12

About (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

(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 (PubChem CID 167709851) has the molecular formula C36H36FN3O6 and a molecular weight of 625.70 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167709851
Molecular FormulaC36H36FN3O6
Molecular Weight625.70 g/mol
Exact Mass625.26
IUPAC Name(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
SMILESCCC(=O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C36H36FN3O6/c1-4-25(41)19-39-34(43)35(2)20-45-33-27(35)18-30(40-32(33)21-7-9-24(37)10-8-21)36(3,44)14-13-28(42)23-16-22-6-5-15-38-31(22)29(17-23)46-26-11-12-26/h5-10,15-18,26,44H,4,11-14,19-20H2,1-3H3,(H,39,43)/t35-,36-/m0/s1
InChIKeyZQUFMSGCLXAPTE-ZPGRZCPFSA-N
XLogP5.59
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.70
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(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)-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-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-(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
(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)-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-(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-(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-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-(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-[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCC(=O)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1.
What is the InChIKey of (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?
The InChIKey is ZQUFMSGCLXAPTE-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H36FN3O6/c1-4-25(41)19-39-34(43)35(2)20-45-33-27(35)18-30(40-32(33)21-7-9-24(37)10-8-21)36(3,44)14-13-28(42)23-16-22-6-5-15-38-31(22)29(17-23)46-26-11-12-26/h5-10,15-18,26,44H,4,11-14,19-20H2,1-3H3,(H,39,43)/t35-,36-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 625.70 g/mol, XLogP of 5.59, 12 rotatable bonds, 2 hydrogen bond donors, and 8 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-(4-fluorophenyl)-3-methyl-N-(2-oxobutyl)-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167709851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).