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

C27H26N4O4S — CID 155558268

IUPACN-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3cccc4cc[nH]c34)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H26N4O4S/c1-4-28-26(32)23-14-21-22(15-31(3)27(33)25(21)30-23)20-13-17(36(34,35)5-2)9-10-18(20)19-8-6-7-16-11-12-29-24(16)19/h6-15,29-30H,4-5H2,1-3H3,(H,28,32)
InChIKeyICBFYUYGFUCSFW-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.23
Rot. Bonds6

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

N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155558268) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155558268
Molecular FormulaC27H26N4O4S
Molecular Weight502.60 g/mol
Exact Mass502.17
IUPAC NameN-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3cccc4cc[nH]c34)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H26N4O4S/c1-4-28-26(32)23-14-21-22(15-31(3)27(33)25(21)30-23)20-13-17(36(34,35)5-2)9-10-18(20)19-8-6-7-16-11-12-29-24(16)19/h6-15,29-30H,4-5H2,1-3H3,(H,28,32)
InChIKeyICBFYUYGFUCSFW-UHFFFAOYSA-N
XLogP4.23
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 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) is N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-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-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3cccc4cc[nH]c34)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ICBFYUYGFUCSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-4-28-26(32)23-14-21-22(15-31(3)27(33)25(21)30-23)20-13-17(36(34,35)5-2)9-10-18(20)19-8-6-7-16-11-12-29-24(16)19/h6-15,29-30H,4-5H2,1-3H3,(H,28,32).
What are the key properties of N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155558268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).