(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C30H29FN4O6 — CID 167575530

IUPAC(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1cc(C)no1
InChIInChI=1S/C30H29FN4O6/c1-16-11-23(41-35-16)20-10-7-18(12-22(20)39-4)27(36)33-14-30(3,38)24-13-21-26(40-15-29(21,2)28(32)37)25(34-24)17-5-8-19(31)9-6-17/h5-13,38H,14-15H2,1-4H3,(H2,32,37)(H,33,36)/t29-,30-/m0/s1
InChIKeyGLZFHTFVLOKFSB-KYJUHHDHSA-N
MW560.58 g/mol
LogP3.63
Rot. Bonds8

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167575530) has the molecular formula C30H29FN4O6 and a molecular weight of 560.58 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167575530
Molecular FormulaC30H29FN4O6
Molecular Weight560.58 g/mol
Exact Mass560.21
IUPAC Name(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1cc(C)no1
InChIInChI=1S/C30H29FN4O6/c1-16-11-23(41-35-16)20-10-7-18(12-22(20)39-4)27(36)33-14-30(3,38)24-13-21-26(40-15-29(21,2)28(32)37)25(34-24)17-5-8-19(31)9-6-17/h5-13,38H,14-15H2,1-4H3,(H2,32,37)(H,33,36)/t29-,30-/m0/s1
InChIKeyGLZFHTFVLOKFSB-KYJUHHDHSA-N
XLogP3.63
TPSA149.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.58
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167575530) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-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-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)ccc1-c1cc(C)no1.
What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is GLZFHTFVLOKFSB-KYJUHHDHSA-N. The full InChI is InChI=1S/C30H29FN4O6/c1-16-11-23(41-35-16)20-10-7-18(12-22(20)39-4)27(36)33-14-30(3,38)24-13-21-26(40-15-29(21,2)28(32)37)25(34-24)17-5-8-19(31)9-6-17/h5-13,38H,14-15H2,1-4H3,(H2,32,37)(H,33,36)/t29-,30-/m0/s1.
What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 560.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-1-[[3-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzoyl]amino]propan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167575530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).