3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C21H16FN3O3 — CID 66827081

IUPAC3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3c(c2)C(C(=O)c2cc(O)ccc2F)CN3)c1
InChIInChI=1S/C21H16FN3O3/c22-18-5-4-14(26)8-16(18)19(27)17-10-25-21-15(17)7-13(9-24-21)11-2-1-3-12(6-11)20(23)28/h1-9,17,26H,10H2,(H2,23,28)(H,24,25)
InChIKeyMVSDFVATLHQIQX-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.08
Rot. Bonds4

About 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 66827081) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID66827081
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3c(c2)C(C(=O)c2cc(O)ccc2F)CN3)c1
InChIInChI=1S/C21H16FN3O3/c22-18-5-4-14(26)8-16(18)19(27)17-10-25-21-15(17)7-13(9-24-21)11-2-1-3-12(6-11)20(23)28/h1-9,17,26H,10H2,(H2,23,28)(H,24,25)
InChIKeyMVSDFVATLHQIQX-UHFFFAOYSA-N
XLogP3.08
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide with MolForge

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Related Compounds

2-cyclopentyl-4-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 145961342
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
Usp7-IN-8
CID 122531799
2-(dimethylamino)-N-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide
CID 172438592
4-[6-Amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
CID 126672778
[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
3-[6-amino-5-(3-fluoro-4-hydroxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107317
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 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 66827081) is 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is NC(=O)c1cccc(-c2cnc3c(c2)C(C(=O)c2cc(O)ccc2F)CN3)c1.
What is the InChIKey of 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is MVSDFVATLHQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-18-5-4-14(26)8-16(18)19(27)17-10-25-21-15(17)7-13(9-24-21)11-2-1-3-12(6-11)20(23)28/h1-9,17,26H,10H2,(H2,23,28)(H,24,25).
What are the key properties of 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 377.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-5-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 66827081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).