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

C33H33FN4O6 — CID 167665212

IUPAC(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCCc1cnc2c(OCC(N)=O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1
InChIInChI=1S/C33H33FN4O6/c1-4-18-11-21-12-20(13-25(28(21)37-15-18)43-16-27(35)40)24(39)9-10-33(3,42)26-14-23-30(44-17-32(23,2)31(36)41)29(38-26)19-5-7-22(34)8-6-19/h5-8,11-15,42H,4,9-10,16-17H2,1-3H3,(H2,35,40)(H2,36,41)/t32-,33-/m0/s1
InChIKeySNMSJEIVXVOMAX-LQJZCPKCSA-N
MW600.65 g/mol
LogP3.87
Rot. Bonds11

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

(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167665212) has the molecular formula C33H33FN4O6 and a molecular weight of 600.65 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-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-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167665212
Molecular FormulaC33H33FN4O6
Molecular Weight600.65 g/mol
Exact Mass600.24
IUPAC Name(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCCc1cnc2c(OCC(N)=O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1
InChIInChI=1S/C33H33FN4O6/c1-4-18-11-21-12-20(13-25(28(21)37-15-18)43-16-27(35)40)24(39)9-10-33(3,42)26-14-23-30(44-17-32(23,2)31(36)41)29(38-26)19-5-7-22(34)8-6-19/h5-8,11-15,42H,4,9-10,16-17H2,1-3H3,(H2,35,40)(H2,36,41)/t32-,33-/m0/s1
InChIKeySNMSJEIVXVOMAX-LQJZCPKCSA-N
XLogP3.87
TPSA167.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.65
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(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)-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-[(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-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167605785
(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-(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-fluoro-2-methylpropyl)carbamoylamino]-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167578654
(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167555517
(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-(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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-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-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167665212) is (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-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-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-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-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CCc1cnc2c(OCC(N)=O)cc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2c1.
What is the InChIKey of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is SNMSJEIVXVOMAX-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H33FN4O6/c1-4-18-11-21-12-20(13-25(28(21)37-15-18)43-16-27(35)40)24(39)9-10-33(3,42)26-14-23-30(44-17-32(23,2)31(36)41)29(38-26)19-5-7-22(34)8-6-19/h5-8,11-15,42H,4,9-10,16-17H2,1-3H3,(H2,35,40)(H2,36,41)/t32-,33-/m0/s1.
What are the key properties of (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 600.65 g/mol, XLogP of 3.87, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167665212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).