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-benzoic acid

HCID 59244395
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Basic information

Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)O)cc3F)cn2)cc1
InChIKey
LWOMVNNRZMNKIK-UHFFFAOYSA-N
Molecular formula
C37H36FN7O5
Average molar mass
677.7 g/mol

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-benzoic acid
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-fluorobenzoic acid

Names & synonyms

SCHEMBL2378030LWOMVNNRZMNKIK-UHFFFAOYSA-N4-(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-benzoic acid

Database identifiers

PubChem CID
59244395

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
126 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
11
Heavy atoms
50

Related reactions

26 records
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Compound notes

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