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

C24H22FN3O2 — CID 53164329

IUPACN-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O
InChIInChI=1S/C24H22FN3O2/c1-2-18-7-3-4-9-21(18)26-22(29)16-28-13-11-19-10-12-27(23(19)24(28)30)15-17-6-5-8-20(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29)
InChIKeyGLKWWVNUDCTDPR-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.19
Rot. Bonds6

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

N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 53164329) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
PubChem CID53164329
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O
InChIInChI=1S/C24H22FN3O2/c1-2-18-7-3-4-9-21(18)26-22(29)16-28-13-11-19-10-12-27(23(19)24(28)30)15-17-6-5-8-20(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29)
InChIKeyGLKWWVNUDCTDPR-UHFFFAOYSA-N
XLogP4.19
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(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-(2-bromophenyl)acetamide
CID 52906421
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164282
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164249

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 53164329) is N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is CCc1ccccc1NC(=O)Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is GLKWWVNUDCTDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-2-18-7-3-4-9-21(18)26-22(29)16-28-13-11-19-10-12-27(23(19)24(28)30)15-17-6-5-8-20(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29).
What are the key properties of N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 53164329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).