1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone

C15H12FN3O — CID 56903570

IUPAC1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cc(N)nc2[nH]ccc12
InChIInChI=1S/C15H12FN3O/c1-8(20)10-3-2-9(16)6-12(10)13-7-14(17)19-15-11(13)4-5-18-15/h2-7H,1H3,(H3,17,18,19)
InChIKeyUCCKSDPPVBZPEG-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.15
Rot. Bonds2

About 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone

1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone (PubChem CID 56903570) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone
PubChem CID56903570
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cc(N)nc2[nH]ccc12
InChIInChI=1S/C15H12FN3O/c1-8(20)10-3-2-9(16)6-12(10)13-7-14(17)19-15-11(13)4-5-18-15/h2-7H,1H3,(H3,17,18,19)
InChIKeyUCCKSDPPVBZPEG-UHFFFAOYSA-N
XLogP3.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone (CID 56903570) is 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1-c1cc(N)nc2[nH]ccc12.
What is the InChIKey of 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone?
The InChIKey is UCCKSDPPVBZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-8(20)10-3-2-9(16)6-12(10)13-7-14(17)19-15-11(13)4-5-18-15/h2-7H,1H3,(H3,17,18,19).
What are the key properties of 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone?
1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone has a molecular weight of 269.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 56903570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).