1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

C22H22ClN3O3S — CID 86293483

IUPAC1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
InChIKeyFVYJLIRKASYURP-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.70
Rot. Bonds6

About 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86293483) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID86293483
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
InChIKeyFVYJLIRKASYURP-UHFFFAOYSA-N
XLogP3.70
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86293483) is 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.
What is the SMILES notation for 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is FVYJLIRKASYURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3.
What are the key properties of 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 443.96 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86293483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).