2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C23H20FN3O2 — CID 52906420

IUPAC2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)c(F)c1
InChIInChI=1S/C23H20FN3O2/c1-16-7-8-20(19(24)13-16)25-21(28)15-27-12-10-18-9-11-26(22(18)23(27)29)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyWFSKLFVAJXNYGG-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.94
Rot. Bonds5

About 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 52906420) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID52906420
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)c(F)c1
InChIInChI=1S/C23H20FN3O2/c1-16-7-8-20(19(24)13-16)25-21(28)15-27-12-10-18-9-11-26(22(18)23(27)29)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyWFSKLFVAJXNYGG-UHFFFAOYSA-N
XLogP3.94
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164256
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164282
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164329
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
CID 166596703
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164249
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 52906420) is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)c(F)c1.
What is the InChIKey of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is WFSKLFVAJXNYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16-7-8-20(19(24)13-16)25-21(28)15-27-12-10-18-9-11-26(22(18)23(27)29)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 52906420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).