3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide

C17H13F2N3O3 — CID 68669544

IUPAC3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
SMILESCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C17H13F2N3O3/c1-2-25-8-5-10-11(7-22-17(10)21-6-8)15(23)13-12(18)4-3-9(14(13)19)16(20)24/h3-7H,2H2,1H3,(H2,20,24)(H,21,22)
InChIKeyYEGPYDROARHJGM-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.57
Rot. Bonds5

About 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide

3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide (PubChem CID 68669544) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
PubChem CID68669544
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
SMILESCCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1
InChIInChI=1S/C17H13F2N3O3/c1-2-25-8-5-10-11(7-22-17(10)21-6-8)15(23)13-12(18)4-3-9(14(13)19)16(20)24/h3-7H,2H2,1H3,(H2,20,24)(H,21,22)
InChIKeyYEGPYDROARHJGM-UHFFFAOYSA-N
XLogP2.57
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-(diethylamino)ethoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorobenzamide
CID 67374807
(2,6-difluoro-3-methylphenyl)-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384890
2,4-difluoro-3-[5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 68752136
2,4-difluoro-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67375509
(2,6-difluoro-3-methylphenyl)-(5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 91297376
(3-amino-2,6-difluorophenyl)-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 68755089
(3-amino-2,6-difluorophenyl)-(5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59569607
4-fluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)benzamide
CID 68753226
N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2-(fluoromethyl)benzenesulfonamide
CID 121408768
N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086479
2,4-difluoro-3-[5-(2-methyl-3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 67374830
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide?
The IUPAC name of 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide (CID 68669544) is 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide.
What is the SMILES notation for 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide?
The canonical SMILES for 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide is CCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(C(N)=O)c3F)c2c1.
What is the InChIKey of 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide?
The InChIKey is YEGPYDROARHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-2-25-8-5-10-11(7-22-17(10)21-6-8)15(23)13-12(18)4-3-9(14(13)19)16(20)24/h3-7H,2H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide?
3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide has a molecular weight of 345.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide is sourced from PubChem (CID 68669544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).