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

C18H14ClN3O — CID 141426907

IUPAC1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESO=C1N(Cc2cc3ccccc3n2Cl)c2cnccc2C12CC2
InChIInChI=1S/C18H14ClN3O/c19-22-13(9-12-3-1-2-4-15(12)22)11-21-16-10-20-8-5-14(16)18(6-7-18)17(21)23/h1-5,8-10H,6-7,11H2
InChIKeyNERUGKPDGZWTMD-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.62
Rot. Bonds2

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

1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 141426907) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID141426907
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESO=C1N(Cc2cc3ccccc3n2Cl)c2cnccc2C12CC2
InChIInChI=1S/C18H14ClN3O/c19-22-13(9-12-3-1-2-4-15(12)22)11-21-16-10-20-8-5-14(16)18(6-7-18)17(21)23/h1-5,8-10H,6-7,11H2
InChIKeyNERUGKPDGZWTMD-UHFFFAOYSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
1'-[[5-chloro-1-(3-methylsulfinylpropyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86294229
CID 144745126
CID 144745126
1'-[[5-chloro-1-(4-methylsulfonylbutyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86293481
1'-[[5-chloro-7-fluoro-1-(2-methylsulfonylethyl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86293098
1'-[(5-chloro-1-cyclobutylbenzimidazol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 129089667
1'-[[5-chloro-1-(4-methylsulfonylbutyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 118915050
1'-[[5-chloro-7-fluoro-1-(1-oxothiolan-3-yl)indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 129089694
1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86291948
1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 86294043
4-[3-[5-chloro-2-[(2'-oxospiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]indol-1-yl]propylsulfonyl]piperazine-1-carboxylic acid
CID 118915051
1-acetyl-1'-[[5-chloro-1-(3-methylsulfanylpropyl)indol-2-yl]methyl]spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 129225315

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 141426907) is 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.
What is the SMILES notation for 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is O=C1N(Cc2cc3ccccc3n2Cl)c2cnccc2C12CC2.
What is the InChIKey of 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is NERUGKPDGZWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-22-13(9-12-3-1-2-4-15(12)22)11-21-16-10-20-8-5-14(16)18(6-7-18)17(21)23/h1-5,8-10H,6-7,11H2.
What are the key properties of 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 323.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-chloroindol-2-yl)methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 141426907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).