ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

C18H20FN3O — CID 144735542

IUPACethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCC.Cc1c[nH]c2ncc(-c3cccc(NC(=O)CF)c3)cc12
InChIInChI=1S/C16H14FN3O.C2H6/c1-10-8-18-16-14(10)6-12(9-19-16)11-3-2-4-13(5-11)20-15(21)7-17;1-2/h2-6,8-9H,7H2,1H3,(H,18,19)(H,20,21);1-2H3
InChIKeyPYLCBNNODVGMOY-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.47
Rot. Bonds3

About ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 144735542) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound Nameethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
PubChem CID144735542
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Nameethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCC.Cc1c[nH]c2ncc(-c3cccc(NC(=O)CF)c3)cc12
InChIInChI=1S/C16H14FN3O.C2H6/c1-10-8-18-16-14(10)6-12(9-19-16)11-3-2-4-13(5-11)20-15(21)7-17;1-2/h2-6,8-9H,7H2,1H3,(H,18,19)(H,20,21);1-2H3
InChIKeyPYLCBNNODVGMOY-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (CID 144735542) is ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is CC.Cc1c[nH]c2ncc(-c3cccc(NC(=O)CF)c3)cc12.
What is the InChIKey of ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is PYLCBNNODVGMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O.C2H6/c1-10-8-18-16-14(10)6-12(9-19-16)11-3-2-4-13(5-11)20-15(21)7-17;1-2/h2-6,8-9H,7H2,1H3,(H,18,19)(H,20,21);1-2H3.
What are the key properties of ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 144735542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).