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

C22H17F2N3O2 — CID 53164239

IUPAC2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2N3O2/c23-18-7-6-17(12-19(18)24)25-20(28)14-27-11-9-16-8-10-26(21(16)22(27)29)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,28)
InChIKeyQFEPIJYPZSECBF-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.77
Rot. Bonds5

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

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 53164239) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID53164239
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2N3O2/c23-18-7-6-17(12-19(18)24)25-20(28)14-27-11-9-16-8-10-26(21(16)22(27)29)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,28)
InChIKeyQFEPIJYPZSECBF-UHFFFAOYSA-N
XLogP3.77
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
CID 166596703
N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906452
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-bromophenyl)acetamide
CID 52906421
N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164348
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164329
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-phenylacetamide
CID 22520244
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53164237
N-(2,5-dimethylphenyl)-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164256

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide (CID 53164239) is 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide is O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is QFEPIJYPZSECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-18-7-6-17(12-19(18)24)25-20(28)14-27-11-9-16-8-10-26(21(16)22(27)29)13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,28).
What are the key properties of 2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide?
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 393.39 g/mol, XLogP of 3.77, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 53164239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).