2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide

C17H15F2N3O3 — CID 178005928

IUPAC2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCOc1cnc2c(c1F)[C@@](C)(c1ccc(F)cc1)C(=O)N2CC(N)=O
InChIInChI=1S/C17H15F2N3O3/c1-17(9-3-5-10(18)6-4-9)13-14(19)11(25-2)7-21-15(13)22(16(17)24)8-12(20)23/h3-7H,8H2,1-2H3,(H2,20,23)/t17-/m1/s1
InChIKeyOVYXQCUMLHHZPX-QGZVFWFLSA-N
MW347.32 g/mol
LogP1.51
Rot. Bonds4

About 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide

2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (PubChem CID 178005928) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
PubChem CID178005928
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCOc1cnc2c(c1F)[C@@](C)(c1ccc(F)cc1)C(=O)N2CC(N)=O
InChIInChI=1S/C17H15F2N3O3/c1-17(9-3-5-10(18)6-4-9)13-14(19)11(25-2)7-21-15(13)22(16(17)24)8-12(20)23/h3-7H,8H2,1-2H3,(H2,20,23)/t17-/m1/s1
InChIKeyOVYXQCUMLHHZPX-QGZVFWFLSA-N
XLogP1.51
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (CID 178005928) is 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is COc1cnc2c(c1F)[C@@](C)(c1ccc(F)cc1)C(=O)N2CC(N)=O.
What is the InChIKey of 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The InChIKey is OVYXQCUMLHHZPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-17(9-3-5-10(18)6-4-9)13-14(19)11(25-2)7-21-15(13)22(16(17)24)8-12(20)23/h3-7H,8H2,1-2H3,(H2,20,23)/t17-/m1/s1.
What are the key properties of 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide has a molecular weight of 347.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-fluoro-3-(4-fluorophenyl)-5-methoxy-3-methyl-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 178005928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).