{4-[4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl}-(4-ethyl-piperazin-1-yl)-methanone

HCID 67386285
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Basic information

Standard SMILES
CCN1CCN(C(=O)c2ccc(N3CCc4c(-c5cnc(N(Cc6ccc(OC)cc6)Cc6ccc(OC)cc6)nc5)nc(N5CCOCC5)nc43)c(F)c2)CC1
InChIKey
IKLIIFGHVLCCEH-UHFFFAOYSA-N
Molecular formula
C43H48FN9O4
Average molar mass
773.9 g/mol
Monoisotopic mass
773.38132921

Names & identifiers

Preferred name
{4-[4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl}-(4-ethyl-piperazin-1-yl)-methanone
IUPAC
[4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone

Names & synonyms

SCHEMBL2378960IKLIIFGHVLCCEH-UHFFFAOYSA-N{4-[4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl}-(4-ethyl-piperazin-1-yl)-methanone

Database identifiers

PubChem CID
67386285

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
12
Heavy atoms
57

Related reactions

2 records
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Compound notes

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