1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

C21H20ClN3O3S — CID 86292911

IUPAC1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cccc(Cl)c21
InChIInChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-15(11-14-3-2-4-17(22)19(14)24)13-25-18-12-23-8-5-16(18)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3
InChIKeyJMOGMMBUEQONLC-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.31
Rot. Bonds5

About 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86292911) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID86292911
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cccc(Cl)c21
InChIInChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-15(11-14-3-2-4-17(22)19(14)24)13-25-18-12-23-8-5-16(18)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3
InChIKeyJMOGMMBUEQONLC-UHFFFAOYSA-N
XLogP3.31
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86292911) is 1'-[[7-chloro-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'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cccc(Cl)c21.
What is the InChIKey of 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is JMOGMMBUEQONLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-15(11-14-3-2-4-17(22)19(14)24)13-25-18-12-23-8-5-16(18)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3.
What are the key properties of 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 429.93 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[7-chloro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86292911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).