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

C18H17F2N3O3 — CID 178005921

IUPAC2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21
InChIInChI=1S/C18H17F2N3O3/c1-3-18(10-4-6-11(19)7-5-10)14-15(20)12(26-2)8-22-16(14)23(17(18)25)9-13(21)24/h4-8H,3,9H2,1-2H3,(H2,21,24)/t18-/m1/s1
InChIKeyOKGGSJPULYKZSJ-GOSISDBHSA-N
MW361.35 g/mol
LogP1.90
Rot. Bonds5

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

2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (PubChem CID 178005921) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
PubChem CID178005921
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21
InChIInChI=1S/C18H17F2N3O3/c1-3-18(10-4-6-11(19)7-5-10)14-15(20)12(26-2)8-22-16(14)23(17(18)25)9-13(21)24/h4-8H,3,9H2,1-2H3,(H2,21,24)/t18-/m1/s1
InChIKeyOKGGSJPULYKZSJ-GOSISDBHSA-N
XLogP1.90
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (CID 178005921) is 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is CC[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21.
What is the InChIKey of 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The InChIKey is OKGGSJPULYKZSJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-3-18(10-4-6-11(19)7-5-10)14-15(20)12(26-2)8-22-16(14)23(17(18)25)9-13(21)24/h4-8H,3,9H2,1-2H3,(H2,21,24)/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide has a molecular weight of 361.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 178005921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).