N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C28H30N4O4S — CID 155531098

IUPACN-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3N3CCc4cccc(C)c43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)
InChIKeyWUUAMMFOYHVBJM-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.08
Rot. Bonds6

About N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155531098) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155531098
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC NameN-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3N3CCc4cccc(C)c43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)
InChIKeyWUUAMMFOYHVBJM-UHFFFAOYSA-N
XLogP4.08
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

Epz-719
CID 156599545
4-{2-[(Cyclopropylmethyl)amino]-5-(Ethylsulfonyl)phenyl}-6-Methyl-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 89656215
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-sulfamoylethyl)-1H-indole-2-carboxamide
CID 44592424
5-bromo-3-(3,5-dimethylphenyl)sulfonyl-N-(2-sulfamoylethyl)-1H-indole-2-carboxamide
CID 44592425
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155558268
N-[(3R,4S)-1-(benzenesulfonyl)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156012122
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156013297
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(2S)-1-methylpyrrolidin-2-yl]methylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156014430
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3R)-1-methylpiperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156015100
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(2R)-1-methylpyrrolidin-2-yl]methylcarbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156019724
N-[(3R,4S)-1-(benzenesulfonyl)-4-[[(3S)-piperidin-3-yl]carbamoyl]pyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156020725
N-[(3S,4S)-1-(benzenesulfonyl)-3-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]-5-methyl-1H-indole-2-carboxamide
CID 156021297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155531098) is N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3N3CCc4cccc(C)c43)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WUUAMMFOYHVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33).
What are the key properties of N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-ethylsulfonyl-2-(7-methyl-2,3-dihydroindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155531098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).