1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

C22H23N3O3S — CID 155521585

IUPAC1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O
InChIInChI=1S/C22H23N3O3S/c1-15-4-3-5-19-17(15)12-16(24(19)10-11-29(2,27)28)14-25-20-13-23-9-6-18(20)22(7-8-22)21(25)26/h3-6,9,12-13H,7-8,10-11,14H2,1-2H3
InChIKeyOJYHNKMCDQULDL-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.97
Rot. Bonds5

About 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 155521585) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID155521585
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O
InChIInChI=1S/C22H23N3O3S/c1-15-4-3-5-19-17(15)12-16(24(19)10-11-29(2,27)28)14-25-20-13-23-9-6-18(20)22(7-8-22)21(25)26/h3-6,9,12-13H,7-8,10-11,14H2,1-2H3
InChIKeyOJYHNKMCDQULDL-UHFFFAOYSA-N
XLogP2.97
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 155521585) is 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.
What is the SMILES notation for 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is Cc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O.
What is the InChIKey of 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is OJYHNKMCDQULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-4-3-5-19-17(15)12-16(24(19)10-11-29(2,27)28)14-25-20-13-23-9-6-18(20)22(7-8-22)21(25)26/h3-6,9,12-13H,7-8,10-11,14H2,1-2H3.
What are the key properties of 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 409.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-methyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 155521585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).