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

C28H28N4O4S — CID 155516682

IUPACN-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4cccc(C)c43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H28N4O4S/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/h7-16,30H,5-6H2,1-4H3,(H,29,33)
InChIKeyYPPJYFJAXCFTMZ-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.33
Rot. Bonds6

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

N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155516682) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-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-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155516682
Molecular FormulaC28H28N4O4S
Molecular Weight516.62 g/mol
Exact Mass516.18
IUPAC NameN-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4cccc(C)c43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C28H28N4O4S/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/h7-16,30H,5-6H2,1-4H3,(H,29,33)
InChIKeyYPPJYFJAXCFTMZ-UHFFFAOYSA-N
XLogP4.33
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-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-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155516682) is N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-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-methylindol-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-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4cccc(C)c43)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YPPJYFJAXCFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/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/h7-16,30H,5-6H2,1-4H3,(H,29,33).
What are the key properties of N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 4.33, 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-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155516682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).