2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone

C20H20FN3O — CID 112533829

IUPAC2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C20H20FN3O/c21-17-5-2-1-4-15(17)12-19(25)24-13-16(14-7-10-22-11-8-14)20-18(24)6-3-9-23-20/h1-6,9,13-14,22H,7-8,10-12H2
InChIKeyOWQSEZPCYHEACO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.53
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone

2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone (PubChem CID 112533829) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
PubChem CID112533829
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C20H20FN3O/c21-17-5-2-1-4-15(17)12-19(25)24-13-16(14-7-10-22-11-8-14)20-18(24)6-3-9-23-20/h1-6,9,13-14,22H,7-8,10-12H2
InChIKeyOWQSEZPCYHEACO-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone (CID 112533829) is 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone is O=C(Cc1ccccc1F)n1cc(C2CCNCC2)c2ncccc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
The InChIKey is OWQSEZPCYHEACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-5-2-1-4-15(17)12-19(25)24-13-16(14-7-10-22-11-8-14)20-18(24)6-3-9-23-20/h1-6,9,13-14,22H,7-8,10-12H2.
What are the key properties of 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone?
2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone has a molecular weight of 337.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 112533829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).