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

C18H17F2N3O4 — CID 178005941

IUPAC2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCCO[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21
InChIInChI=1S/C18H17F2N3O4/c1-3-27-18(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-/m0/s1
InChIKeyHDQUUNOKNYJIBU-SFHVURJKSA-N
MW377.35 g/mol
LogP1.48
Rot. Bonds6

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

2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (PubChem CID 178005941) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
PubChem CID178005941
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide
SMILESCCO[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21
InChIInChI=1S/C18H17F2N3O4/c1-3-27-18(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-/m0/s1
InChIKeyHDQUUNOKNYJIBU-SFHVURJKSA-N
XLogP1.48
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide (CID 178005941) is 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is CCO[C@]1(c2ccc(F)cc2)C(=O)N(CC(N)=O)c2ncc(OC)c(F)c21.
What is the InChIKey of 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
The InChIKey is HDQUUNOKNYJIBU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-3-27-18(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-/m0/s1.
What are the key properties of 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide?
2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide has a molecular weight of 377.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethoxy-4-fluoro-3-(4-fluorophenyl)-5-methoxy-2-oxopyrrolo[2,3-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 178005941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).