4-(3-chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(2-morpholin-4-yl-ethyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one

HCID 67390448
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Basic information

Standard SMILES
Cc1c(C=C2C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2
InChIKey
BGBYSPLQSYQFOJ-UHFFFAOYSA-N
Molecular formula
C27H27ClFN7O3
Average molar mass
552 g/mol

Names & identifiers

Preferred name
4-(3-chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(2-morpholin-4-yl-ethyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC
4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one

Names & synonyms

SCHEMBL2392869BGBYSPLQSYQFOJ-UHFFFAOYSA-N4-(3-chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(2-morpholin-4-yl-ethyl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one

Database identifiers

PubChem CID
67390448

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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