N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C22H17ClFN3O2 — CID 52906452

IUPACN-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O2/c23-17-5-3-6-18(12-17)25-20(28)14-27-11-9-15-8-10-26(21(15)22(27)29)13-16-4-1-2-7-19(16)24/h1-12H,13-14H2,(H,25,28)
InChIKeyDVKUKOGIAYFUEJ-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.28
Rot. Bonds5

About N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 52906452) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
PubChem CID52906452
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC NameN-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESO=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O2/c23-17-5-3-6-18(12-17)25-20(28)14-27-11-9-15-8-10-26(21(15)22(27)29)13-16-4-1-2-7-19(16)24/h1-12H,13-14H2,(H,25,28)
InChIKeyDVKUKOGIAYFUEJ-UHFFFAOYSA-N
XLogP4.28
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]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-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 53164302
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
N-(3-chlorophenyl)-2-[3-[(2-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869465
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
N-(3-chlorophenyl)-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20921499
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164329
N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164348
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 52906420
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 52906452) is N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is DVKUKOGIAYFUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c23-17-5-3-6-18(12-17)25-20(28)14-27-11-9-15-8-10-26(21(15)22(27)29)13-16-4-1-2-7-19(16)24/h1-12H,13-14H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 409.85 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 52906452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).