6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

C19H14FN3O2 — CID 53492842

IUPAC6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESCOc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1F
InChIInChI=1S/C19H14FN3O2/c1-25-16-6-2-4-13(18(16)20)15-8-11(9-17(24)23-15)14-10-22-19-12(14)5-3-7-21-19/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyPAMCXRTZBDSNDX-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.73
Rot. Bonds3

About 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one

6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (PubChem CID 53492842) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
PubChem CID53492842
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
SMILESCOc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1F
InChIInChI=1S/C19H14FN3O2/c1-25-16-6-2-4-13(18(16)20)15-8-11(9-17(24)23-15)14-10-22-19-12(14)5-3-7-21-19/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyPAMCXRTZBDSNDX-UHFFFAOYSA-N
XLogP3.73
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one (CID 53492842) is 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is COc1cccc(-c2cc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
The InChIKey is PAMCXRTZBDSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-25-16-6-2-4-13(18(16)20)15-8-11(9-17(24)23-15)14-10-22-19-12(14)5-3-7-21-19/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one?
6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one has a molecular weight of 335.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 53492842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).