5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H18F2N4O — CID 156564782

IUPAC5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c2ncc(-c3cccc(CCN4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C19H18F2N4O/c20-19(21)10-25(11-19)5-4-12-2-1-3-13(6-12)14-7-15-16(17(22)26)9-24-18(15)23-8-14/h1-3,6-9H,4-5,10-11H2,(H2,22,26)(H,23,24)
InChIKeyACCPFOQFFGYJIQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.82
Rot. Bonds5

About 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156564782) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156564782
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c2ncc(-c3cccc(CCN4CC(F)(F)C4)c3)cc12
InChIInChI=1S/C19H18F2N4O/c20-19(21)10-25(11-19)5-4-12-2-1-3-13(6-12)14-7-15-16(17(22)26)9-24-18(15)23-8-14/h1-3,6-9H,4-5,10-11H2,(H2,22,26)(H,23,24)
InChIKeyACCPFOQFFGYJIQ-UHFFFAOYSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 137359690
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
N-butan-2-yl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71013623
ethane;(3Z,5E)-5-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]hepta-3,5-dienoic acid
CID 143178633
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 11370950
1-[2,4-difluoro-3-[5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 172763862
3-[3-[3-[2-(cyclopentylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propanoic acid
CID 66646875
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide
CID 126676205
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156564782) is 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is NC(=O)c1c[nH]c2ncc(-c3cccc(CCN4CC(F)(F)C4)c3)cc12.
What is the InChIKey of 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ACCPFOQFFGYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-19(21)10-25(11-19)5-4-12-2-1-3-13(6-12)14-7-15-16(17(22)26)9-24-18(15)23-8-14/h1-3,6-9H,4-5,10-11H2,(H2,22,26)(H,23,24).
What are the key properties of 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,3-difluoroazetidin-1-yl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156564782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).