Basic information
- Standard SMILES
O=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1)N1CCc2cc(O)ccc21- InChIKey
XBSVNBDBCBCNGF-UHFFFAOYSA-N- Molecular formula
- C28H22N6O3
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.17533859
Names & identifiers
- Preferred name
- 5-(6-(5-hydroxyindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
- IUPAC
- 5-[[6-(5-hydroxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
Names & synonyms
SCHEMBL550468XBSVNBDBCBCNGF-UHFFFAOYSA-N5-(6-(5-hydroxyindoline-1-carbonyl)pyrimidin-4-ylamino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
Database identifiers
- PubChem CID
- 49800795
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
Loading…