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

C16H12FN3O2 — CID 68753226

IUPAC4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
SMILESCc1cnc2[nH]cc(C(=O)c3cc(C(N)=O)ccc3F)c2c1
InChIInChI=1S/C16H12FN3O2/c1-8-4-10-12(7-20-16(10)19-6-8)14(21)11-5-9(15(18)22)2-3-13(11)17/h2-7H,1H3,(H2,18,22)(H,19,20)
InChIKeyDRIXWEKXMSXKCV-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.34
Rot. Bonds3

About 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide

4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide (PubChem CID 68753226) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
PubChem CID68753226
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
SMILESCc1cnc2[nH]cc(C(=O)c3cc(C(N)=O)ccc3F)c2c1
InChIInChI=1S/C16H12FN3O2/c1-8-4-10-12(7-20-16(10)19-6-8)14(21)11-5-9(15(18)22)2-3-13(11)17/h2-7H,1H3,(H2,18,22)(H,19,20)
InChIKeyDRIXWEKXMSXKCV-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

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Btk-IN-15
CID 164887528
2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 162393548
6-amino-3-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide
CID 166634441
2,2,2-trifluoro-1-[1-(2-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-ethanone
CID 3362807
Piperazine, 4-benzoyl-1-(1,2-dioxo-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-2-methyl-, (2R)-
CID 5495793
1-(4-benzoylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
CID 5495796
Piperazine, 4-benzoyl-1-(1,2-dioxo-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-2-methyl-, (2S)-
CID 5495798
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
CID 11521534
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 24856835
(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 42603003
Vemurafenib impurity 5
CID 58087865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The IUPAC name of 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide (CID 68753226) is 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide.
What is the SMILES notation for 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The canonical SMILES for 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide is Cc1cnc2[nH]cc(C(=O)c3cc(C(N)=O)ccc3F)c2c1.
What is the InChIKey of 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
The InChIKey is DRIXWEKXMSXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-8-4-10-12(7-20-16(10)19-6-8)14(21)11-5-9(15(18)22)2-3-13(11)17/h2-7H,1H3,(H2,18,22)(H,19,20).
What are the key properties of 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide?
4-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 4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide is sourced from PubChem (CID 68753226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).