2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide

C16H12FN3O2 — CID 68752286

IUPAC2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
SMILESCc1cnc2[nH]cc(C(=O)c3cccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C16H12FN3O2/c1-8-5-11-12(7-20-16(11)19-6-8)14(21)9-3-2-4-10(13(9)17)15(18)22/h2-7H,1H3,(H2,18,22)(H,19,20)
InChIKeyVIYNWXZTHRANIN-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.34
Rot. Bonds3

About 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide

2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide (PubChem CID 68752286) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
PubChem CID68752286
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
SMILESCc1cnc2[nH]cc(C(=O)c3cccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C16H12FN3O2/c1-8-5-11-12(7-20-16(11)19-6-8)14(21)9-3-2-4-10(13(9)17)15(18)22/h2-7H,1H3,(H2,18,22)(H,19,20)
InChIKeyVIYNWXZTHRANIN-UHFFFAOYSA-N
XLogP2.34
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
5-ethoxycarbonyl-3-[2-fluoro-3-[propyl(sulfino)amino]benzoyl]-1H-pyrrolo[2,3-b]pyridine
CID 91354616
[5-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-3-methoxyphenyl)methanone
CID 58086573
(2-fluoro-3-hydroxyphenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163410662
N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086479
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
CID 68669544
N-[2-fluoro-3-[5-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]methanesulfinamide
CID 142402683
N-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]cyclopentanesulfonamide
CID 66646587
(5-cyclohexa-1,5-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 143384662
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The IUPAC name of 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide (CID 68752286) is 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide.
What is the SMILES notation for 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The canonical SMILES for 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide is Cc1cnc2[nH]cc(C(=O)c3cccc(C(N)=O)c3F)c2c1.
What is the InChIKey of 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The InChIKey is VIYNWXZTHRANIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-8-5-11-12(7-20-16(11)19-6-8)14(21)9-3-2-4-10(13(9)17)15(18)22/h2-7H,1H3,(H2,18,22)(H,19,20).
What are the key properties of 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 68752286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).