N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide

C29H23F2N3O4 — CID 90415904

IUPACN-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(=O)[nH]ccc23)c1
InChIInChI=1S/C29H23F2N3O4/c1-34-16-22(20-11-12-32-29(36)28(20)34)21-15-19(33-27(35)13-17-5-3-4-6-24(17)37-2)8-10-25(21)38-26-9-7-18(30)14-23(26)31/h3-12,14-16H,13H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyNGOYLKIDGMOSLX-UHFFFAOYSA-N
MW515.52 g/mol
LogP5.79
Rot. Bonds7

About N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide

N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 90415904) has the molecular formula C29H23F2N3O4 and a molecular weight of 515.52 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide
PubChem CID90415904
Molecular FormulaC29H23F2N3O4
Molecular Weight515.52 g/mol
Exact Mass515.17
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(=O)[nH]ccc23)c1
InChIInChI=1S/C29H23F2N3O4/c1-34-16-22(20-11-12-32-29(36)28(20)34)21-15-19(33-27(35)13-17-5-3-4-6-24(17)37-2)8-10-25(21)38-26-9-7-18(30)14-23(26)31/h3-12,14-16H,13H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyNGOYLKIDGMOSLX-UHFFFAOYSA-N
XLogP5.79
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]acetamide
CID 90418538
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
3-[5-(benzenesulfonylmethyl)-2-(2,4-difluorophenoxy)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86287960
3-[2-(2,4-difluorophenoxy)-5-[(1R)-1-ethylsulfonylethyl]phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90416078
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86288169
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide
CID 110734555
3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 90416278
N'-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-N-[4-[(2-methyl-1,3-dioxoisoindol-4-yl)amino]butyl]hexanediamide
CID 167507910
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 118117023
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 118116640

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide (CID 90415904) is N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(=O)[nH]ccc23)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is NGOYLKIDGMOSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N3O4/c1-34-16-22(20-11-12-32-29(36)28(20)34)21-15-19(33-27(35)13-17-5-3-4-6-24(17)37-2)8-10-25(21)38-26-9-7-18(30)14-23(26)31/h3-12,14-16H,13H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide?
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 515.52 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 90415904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).