(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H38FN3O7 — CID 167574382

IUPAC(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C33H38FN3O7/c1-32(31(35)39)20-44-30-24(32)19-28(36-29(30)21-4-7-23(34)8-5-21)33(2,40)11-10-25(38)22-6-9-26(27(18-22)41-3)43-17-14-37-12-15-42-16-13-37/h4-9,18-19,40H,10-17,20H2,1-3H3,(H2,35,39)/t32-,33-/m0/s1
InChIKeyGIDSANXRYCHNBF-LQJZCPKCSA-N
MW607.68 g/mol
LogP3.61
Rot. Bonds12

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167574382) has the molecular formula C33H38FN3O7 and a molecular weight of 607.68 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167574382
Molecular FormulaC33H38FN3O7
Molecular Weight607.68 g/mol
Exact Mass607.27
IUPAC Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1OCCN1CCOCC1
InChIInChI=1S/C33H38FN3O7/c1-32(31(35)39)20-44-30-24(32)19-28(36-29(30)21-4-7-23(34)8-5-21)33(2,40)11-10-25(38)22-6-9-26(27(18-22)41-3)43-17-14-37-12-15-42-16-13-37/h4-9,18-19,40H,10-17,20H2,1-3H3,(H2,35,39)/t32-,33-/m0/s1
InChIKeyGIDSANXRYCHNBF-LQJZCPKCSA-N
XLogP3.61
TPSA133.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.68
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167681250
(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
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 157438514
(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
(3S)-5-[(2S)-1-[[4-(2-fluoroethoxy)-3-methoxybenzoyl]amino]-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide;molecular hydrogen
CID 167622221
(3R)-N-cyclopropylsulfonyl-7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167610833
(4S)-4-[(3S)-3-(anilinomethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 167707796
(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
CID 158034139
(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
(4R)-4-[(3S)-7-(4-fluorophenyl)-3-(hydroxyamino)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
CID 162172091
(3R)-5-[(2S)-5-(2-ethylindazol-5-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167637042
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167574382) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1OCCN1CCOCC1.
What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is GIDSANXRYCHNBF-LQJZCPKCSA-N. The full InChI is InChI=1S/C33H38FN3O7/c1-32(31(35)39)20-44-30-24(32)19-28(36-29(30)21-4-7-23(34)8-5-21)33(2,40)11-10-25(38)22-6-9-26(27(18-22)41-3)43-17-14-37-12-15-42-16-13-37/h4-9,18-19,40H,10-17,20H2,1-3H3,(H2,35,39)/t32-,33-/m0/s1.
What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 607.68 g/mol, XLogP of 3.61, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).