(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

C34H33FN4O5 — CID 167673726

IUPAC(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
SMILESCc1ncc(-c2ccc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2OC2CC2)cn1
InChIInChI=1S/C34H33FN4O5/c1-19-37-16-22(17-38-19)25-11-6-21(14-28(25)44-24-9-10-24)27(40)12-13-34(3,42)29-15-26-31(43-18-33(26,2)32(36)41)30(39-29)20-4-7-23(35)8-5-20/h4-8,11,14-17,24,42H,9-10,12-13,18H2,1-3H3,(H2,36,41)/t33-,34-/m0/s1
InChIKeyUMWSWTARVKXRGG-HEVIKAOCSA-N
MW596.66 g/mol
LogP5.20
Rot. Bonds10

About (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

(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 (PubChem CID 167673726) has the molecular formula C34H33FN4O5 and a molecular weight of 596.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167673726
Molecular FormulaC34H33FN4O5
Molecular Weight596.66 g/mol
Exact Mass596.24
IUPAC Name(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
SMILESCc1ncc(-c2ccc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2OC2CC2)cn1
InChIInChI=1S/C34H33FN4O5/c1-19-37-16-22(17-38-19)25-11-6-21(14-28(25)44-24-9-10-24)27(40)12-13-34(3,42)29-15-26-31(43-18-33(26,2)32(36)41)30(39-29)20-4-7-23(35)8-5-20/h4-8,11,14-17,24,42H,9-10,12-13,18H2,1-3H3,(H2,36,41)/t33-,34-/m0/s1
InChIKeyUMWSWTARVKXRGG-HEVIKAOCSA-N
XLogP5.20
TPSA137.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.66
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(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-[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-(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-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-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-(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)-1-[(3-cyclopropyloxy-4-pyridin-4-ylbenzoyl)amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167640405
(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-(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ncc(-c2ccc(C(=O)CC[C@](C)(O)c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)C(N)=O)cc2OC2CC2)cn1.
What is the InChIKey of (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?
The InChIKey is UMWSWTARVKXRGG-HEVIKAOCSA-N. The full InChI is InChI=1S/C34H33FN4O5/c1-19-37-16-22(17-38-19)25-11-6-21(14-28(25)44-24-9-10-24)27(40)12-13-34(3,42)29-15-26-31(43-18-33(26,2)32(36)41)30(39-29)20-4-7-23(35)8-5-20/h4-8,11,14-17,24,42H,9-10,12-13,18H2,1-3H3,(H2,36,41)/t33-,34-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 596.66 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167673726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).