1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone

C19H20FN5O — CID 146148610

IUPAC1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
SMILESCCCN1CCN(C(=O)Cn2ncc3ncccc32)c2cc(F)ccc21
InChIInChI=1S/C19H20FN5O/c1-2-8-23-9-10-24(18-11-14(20)5-6-17(18)23)19(26)13-25-16-4-3-7-21-15(16)12-22-25/h3-7,11-12H,2,8-10,13H2,1H3
InChIKeyOPUZSAWFPYBROP-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.83
Rot. Bonds4

About 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone

1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone (PubChem CID 146148610) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
PubChem CID146148610
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone
SMILESCCCN1CCN(C(=O)Cn2ncc3ncccc32)c2cc(F)ccc21
InChIInChI=1S/C19H20FN5O/c1-2-8-23-9-10-24(18-11-14(20)5-6-17(18)23)19(26)13-25-16-4-3-7-21-15(16)12-22-25/h3-7,11-12H,2,8-10,13H2,1H3
InChIKeyOPUZSAWFPYBROP-UHFFFAOYSA-N
XLogP2.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone?
The IUPAC name of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone (CID 146148610) is 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone.
What is the SMILES notation for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone?
The canonical SMILES for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone is CCCN1CCN(C(=O)Cn2ncc3ncccc32)c2cc(F)ccc21.
What is the InChIKey of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone?
The InChIKey is OPUZSAWFPYBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-8-23-9-10-24(18-11-14(20)5-6-17(18)23)19(26)13-25-16-4-3-7-21-15(16)12-22-25/h3-7,11-12H,2,8-10,13H2,1H3.
What are the key properties of 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone?
1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone has a molecular weight of 353.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)-2-pyrazolo[4,5-b]pyridin-1-ylethanone is sourced from PubChem (CID 146148610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).