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

C23H25N3O3S — CID 155525918

IUPAC1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCCc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O
InChIInChI=1S/C23H25N3O3S/c1-3-16-5-4-6-20-18(16)13-17(25(20)11-12-30(2,28)29)15-26-21-14-24-10-7-19(21)23(8-9-23)22(26)27/h4-7,10,13-14H,3,8-9,11-12,15H2,1-2H3
InChIKeyLWWZUQOSLRXNLD-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.22
Rot. Bonds6

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

1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 155525918) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID155525918
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCCc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O
InChIInChI=1S/C23H25N3O3S/c1-3-16-5-4-6-20-18(16)13-17(25(20)11-12-30(2,28)29)15-26-21-14-24-10-7-19(21)23(8-9-23)22(26)27/h4-7,10,13-14H,3,8-9,11-12,15H2,1-2H3
InChIKeyLWWZUQOSLRXNLD-UHFFFAOYSA-N
XLogP3.22
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

US10189838, Example 14-1
CID 86292138
US10189838, Example 1-1
CID 86292718
US10189838, Example 1-7
CID 86292911
US10189838, Example 2-1
CID 86293101
US10189838, Example 9
CID 86293289
US10189838, Example 2-9
CID 86293478
US10189838, Example 3-1
CID 86293479
US10189838, Example 4-1
CID 86293481
US10189838, Example 10
CID 86293483
US10189838, Example 5-2
CID 86294228
US10189838, Example 5-1
CID 86294229
US10189838, Example 22-1
CID 117696788

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 155525918) is 1'-[[4-ethyl-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-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is CCc1cccc2c1cc(CN1C(=O)C3(CC3)c3ccncc31)n2CCS(C)(=O)=O.
What is the InChIKey of 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is LWWZUQOSLRXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-16-5-4-6-20-18(16)13-17(25(20)11-12-30(2,28)29)15-26-21-14-24-10-7-19(21)23(8-9-23)22(26)27/h4-7,10,13-14H,3,8-9,11-12,15H2,1-2H3.
What are the key properties of 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 423.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-ethyl-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 155525918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).