(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C20H15FN2O2 — CID 66820478

IUPAC(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cc(O)ccc1F)C1CNc2nccc(-c3ccccc3)c21
InChIInChI=1S/C20H15FN2O2/c21-17-7-6-13(24)10-15(17)19(25)16-11-23-20-18(16)14(8-9-22-20)12-4-2-1-3-5-12/h1-10,16,24H,11H2,(H,22,23)
InChIKeyKKQFTVFUIKVDKR-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.99
Rot. Bonds3

About (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 66820478) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID66820478
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cc(O)ccc1F)C1CNc2nccc(-c3ccccc3)c21
InChIInChI=1S/C20H15FN2O2/c21-17-7-6-13(24)10-15(17)19(25)16-11-23-20-18(16)14(8-9-22-20)12-4-2-1-3-5-12/h1-10,16,24H,11H2,(H,22,23)
InChIKeyKKQFTVFUIKVDKR-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone with MolForge

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Related Compounds

(2E)-6-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 156011177
6-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-4-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroisoindol-1-one
CID 164610297
1-[4-[(3-Fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(4-Fluoro-3-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122654150
US20230322767, Example 113
CID 162686978
3-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-hydroxybenzoic acid
CID 56904646
4-Hydroxy-3-[(2-hydroxyphenyl)-(pyridin-2-ylamino)methyl]naphthalene-1,2-dione
CID 155561698
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone
CID 11245029
[2-Amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-(3-hydroxyphenyl)methanone
CID 12114193
2-[2,6-Difluoro-4-(3-hydroxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24987535
N-[3-[3-(2-fluoro-5-hydroxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 57595573
[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluoro-5-hydroxyphenyl)methanone
CID 57595598

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 66820478) is (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cc(O)ccc1F)C1CNc2nccc(-c3ccccc3)c21.
What is the InChIKey of (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is KKQFTVFUIKVDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-17-7-6-13(24)10-15(17)19(25)16-11-23-20-18(16)14(8-9-22-20)12-4-2-1-3-5-12/h1-10,16,24H,11H2,(H,22,23).
What are the key properties of (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 334.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-hydroxyphenyl)-(4-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 66820478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).