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

C22H23ClN4O2S — CID 86292138

IUPAC1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILES[H]N=S(C)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H23ClN4O2S/c1-30(24,29)10-2-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-25-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13,24H,2,6-7,9-10,14H2,1H3
InChIKeyMLUCGVAEQMYPDV-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.33
Rot. Bonds6

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

1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86292138) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID86292138
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILES[H]N=S(C)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C22H23ClN4O2S/c1-30(24,29)10-2-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-25-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13,24H,2,6-7,9-10,14H2,1H3
InChIKeyMLUCGVAEQMYPDV-UHFFFAOYSA-N
XLogP4.33
TPSA79.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Rilematovir
CID 118892432
3-[[5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 57405067
3-[[5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
CID 90027290
3-[[5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-one
CID 156010901
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

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86292138) is 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]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-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is [H]N=S(C)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is MLUCGVAEQMYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-30(24,29)10-2-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-25-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13,24H,2,6-7,9-10,14H2,1H3.
What are the key properties of 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 442.97 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-chloro-1-[3-(methylsulfonimidoyl)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).