3-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzoic acid

HCID 59244308

Basic information

Standard SMILES
O=C(O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1
InChIKey
XOAJJPDSRLCVDN-UHFFFAOYSA-N
Molecular formula
C22H21N5O3
Average molar mass
403.4 g/mol
Monoisotopic mass
403.16443955

Names & identifiers

Preferred name
3-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzoic acid
IUPAC
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzoic acid

Names & synonyms

CHEMBL2314588SCHEMBL2378569BDBM50425218

Database identifiers

PubChem CID
59244308
ChEMBL
CHEMBL2314588

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
91.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
30

Related reactions

22 records

Linked notes

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