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

C21H16FN3O — CID 58338428

IUPAC1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O/c22-17-6-4-15(5-7-17)20(26)11-18-8-3-14(12-24-18)10-16-13-25-21-19(16)2-1-9-23-21/h1-9,12-13H,10-11H2,(H,23,25)
InChIKeyNNBJBDXQYILEOL-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.11
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone (PubChem CID 58338428) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
PubChem CID58338428
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O/c22-17-6-4-15(5-7-17)20(26)11-18-8-3-14(12-24-18)10-16-13-25-21-19(16)2-1-9-23-21/h1-9,12-13H,10-11H2,(H,23,25)
InChIKeyNNBJBDXQYILEOL-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Y-39983
CID 11507964
Plx8394
CID 90116675
Plx4032
CID 53438230
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
(3S)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 90116353
5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CID 90116945
Pyrrolo-pyrimidone, 9
CID 135524117
7-(2-Aminopyrimidin-5-yl)-1-{[(1r)-1-cyclopropyl-2,2,2-trifluoroethyl]amino}-5h-pyrido[4,3-b]indole-4-carboxamide
CID 42622934
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone (CID 58338428) is 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone is O=C(Cc1ccc(Cc2c[nH]c3ncccc23)cn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone?
The InChIKey is NNBJBDXQYILEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-6-4-15(5-7-17)20(26)11-18-8-3-14(12-24-18)10-16-13-25-21-19(16)2-1-9-23-21/h1-9,12-13H,10-11H2,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone?
1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone has a molecular weight of 345.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58338428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).