(S)-3-[6-(6-Methoxy-5-methyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 57495331
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3C2)cc1C
InChIKey
ZMNOFJQREQRILA-KRWDZBQOSA-N
Molecular formula
C23H31N5O4
Average molar mass
441.5 g/mol
Monoisotopic mass
441.23760449

Names & identifiers

Preferred name
(S)-3-[6-(6-Methoxy-5-methyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL321763ZMNOFJQREQRILA-KRWDZBQOSA-N(S)-3-[6-(6-Methoxy-5-methyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy]-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
57495331

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
89.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…