1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

C19H13FN2O2 — CID 59186568

IUPAC1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESO=C(Cc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-15-3-1-13(2-4-15)18(23)8-12-7-16-17(14-5-6-24-11-14)10-22-19(16)21-9-12/h1-7,9-11H,8H2,(H,21,22)
InChIKeyYJMAWZYTAQCOKD-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone

1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (PubChem CID 59186568) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
PubChem CID59186568
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
SMILESO=C(Cc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-15-3-1-13(2-4-15)18(23)8-12-7-16-17(14-5-6-24-11-14)10-22-19(16)21-9-12/h1-7,9-11H,8H2,(H,21,22)
InChIKeyYJMAWZYTAQCOKD-UHFFFAOYSA-N
XLogP4.39
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 59812076
N-[4-fluoro-3-[6-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 76314293
4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206993
4-[5-(furan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 166628404

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone (CID 59186568) is 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is O=C(Cc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is YJMAWZYTAQCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-15-3-1-13(2-4-15)18(23)8-12-7-16-17(14-5-6-24-11-14)10-22-19(16)21-9-12/h1-7,9-11H,8H2,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone?
1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 320.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 59186568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).