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

C20H19ClN4O3S — CID 86293288

IUPAC1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)cnc21
InChIInChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-15(9-13-8-14(21)10-23-18(13)24)12-25-17-11-22-5-2-16(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3
InChIKeyMNYIUJVIOVSOML-UHFFFAOYSA-N
MW430.92 g/mol
LogP2.71
Rot. Bonds5

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

1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86293288) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

Compound Name1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
PubChem CID86293288
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
SMILESCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)cnc21
InChIInChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-15(9-13-8-14(21)10-23-18(13)24)12-25-17-11-22-5-2-16(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3
InChIKeyMNYIUJVIOVSOML-UHFFFAOYSA-N
XLogP2.71
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-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-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The IUPAC name of 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86293288) is 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-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-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The canonical SMILES for 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)cnc21.
What is the InChIKey of 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
The InChIKey is MNYIUJVIOVSOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-15(9-13-8-14(21)10-23-18(13)24)12-25-17-11-22-5-2-16(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3.
What are the key properties of 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?
1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 430.92 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-chloro-1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86293288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).