1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one

C24H22N4O4S — CID 77050669

IUPAC1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
InChIKeyOOXAVDPIQSUYJW-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.11
Rot. Bonds5

About 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one

1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one (PubChem CID 77050669) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one
PubChem CID77050669
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3
InChIKeyOOXAVDPIQSUYJW-UHFFFAOYSA-N
XLogP4.11
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one 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 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one (CID 77050669) is 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one is CN1C(=O)CCC1c1cc2[nH]c(-c3ccccn3)cc2cc1Oc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one?
The InChIKey is OOXAVDPIQSUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3.
What are the key properties of 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one?
1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one has a molecular weight of 462.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-indol-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 77050669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).