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

C27H26N4O4S — CID 155567978

IUPACN-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4ccccc43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32)
InChIKeyGTEFRWSNBXHPOR-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.02
Rot. Bonds6

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

N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155567978) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155567978
Molecular FormulaC27H26N4O4S
Molecular Weight502.60 g/mol
Exact Mass502.17
IUPAC NameN-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4ccccc43)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32)
InChIKeyGTEFRWSNBXHPOR-UHFFFAOYSA-N
XLogP4.02
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.02
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-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155567978) is N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4ccccc43)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GTEFRWSNBXHPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-4-28-26(32)22-15-20-21(16-30(3)27(33)25(20)29-22)19-14-18(36(34,35)5-2)10-11-24(19)31-13-12-17-8-6-7-9-23(17)31/h6-16,29H,4-5H2,1-3H3,(H,28,32).
What are the key properties of N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.02, 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-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155567978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).