N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide

C23H18FN3O2 — CID 147588258

IUPACN-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C23H18FN3O2/c1-14(28)26-20-4-2-3-17(11-20)22(29)10-15-9-18-12-21(27-23(18)25-13-15)16-5-7-19(24)8-6-16/h2-9,11-13H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyFXTVPVROXWZAIM-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.75
Rot. Bonds5

About N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide

N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide (PubChem CID 147588258) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
PubChem CID147588258
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C23H18FN3O2/c1-14(28)26-20-4-2-3-17(11-20)22(29)10-15-9-18-12-21(27-23(18)25-13-15)16-5-7-19(24)8-6-16/h2-9,11-13H,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyFXTVPVROXWZAIM-UHFFFAOYSA-N
XLogP4.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]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

Related Compounds

2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 146815842
2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone
CID 158118668
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272
1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157209077
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
CID 11646996
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882425
N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
potassium;2-methylpropan-2-olate;N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
CID 158847046
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 86727993
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687564

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide (CID 147588258) is N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)Cc2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide?
The InChIKey is FXTVPVROXWZAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14(28)26-20-4-2-3-17(11-20)22(29)10-15-9-18-12-21(27-23(18)25-13-15)16-5-7-19(24)8-6-16/h2-9,11-13H,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide?
N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]acetamide is sourced from PubChem (CID 147588258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).