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

C23H22ClN3O3S — CID 86294423

IUPAC1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESO=C1N(Cc2cc3cc(Cl)ccc3n2CCC2CS(=O)(=O)C2)c2cnccc2C12CC2
InChIInChI=1S/C23H22ClN3O3S/c24-17-1-2-20-16(9-17)10-18(26(20)8-4-15-13-31(29,30)14-15)12-27-21-11-25-7-3-19(21)23(5-6-23)22(27)28/h1-3,7,9-11,15H,4-6,8,12-14H2
InChIKeyHBPLMPIAEIIGNY-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.70
Rot. Bonds5

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

1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86294423) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID86294423
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESO=C1N(Cc2cc3cc(Cl)ccc3n2CCC2CS(=O)(=O)C2)c2cnccc2C12CC2
InChIInChI=1S/C23H22ClN3O3S/c24-17-1-2-20-16(9-17)10-18(26(20)8-4-15-13-31(29,30)14-15)12-27-21-11-25-7-3-19(21)23(5-6-23)22(27)28/h1-3,7,9-11,15H,4-6,8,12-14H2
InChIKeyHBPLMPIAEIIGNY-UHFFFAOYSA-N
XLogP3.70
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86294423) is 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]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-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is O=C1N(Cc2cc3cc(Cl)ccc3n2CCC2CS(=O)(=O)C2)c2cnccc2C12CC2.
What is the InChIKey of 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is HBPLMPIAEIIGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-17-1-2-20-16(9-17)10-18(26(20)8-4-15-13-31(29,30)14-15)12-27-21-11-25-7-3-19(21)23(5-6-23)22(27)28/h1-3,7,9-11,15H,4-6,8,12-14H2.
What are the key properties of 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 455.97 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-chloro-1-[2-(1,1-dioxothietan-3-yl)ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86294423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).