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(R)-3-({1-[4-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-pyrrolidine-1-carboxylic acid ethyl ester

HCID 44206282
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Basic information

Standard SMILES
CCOC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3c(-c4c(OCC5CC5)ccc5c4OCO5)ncnc23)C1
InChIKey
GGPRAEJEHDVGGS-OAHLLOKOSA-N
Molecular formula
C25H27N5O6
Average molar mass
493.5 g/mol

Names & identifiers

Preferred name
(R)-3-({1-[4-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-pyrrolidine-1-carboxylic acid ethyl ester
IUPAC
ethyl (3R)-3-[[4-[5-(cyclopropylmethoxy)-1,3-benzodioxol-4-yl]-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL982480GGPRAEJEHDVGGS-OAHLLOKOSA-N(R)-3-({1-[4-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-methanoyl}-amino)-pyrrolidine-1-carboxylic acid ethyl ester

Database identifiers

PubChem CID
44206282

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
814

Related reactions

1 records
New reaction record
HRID 2093939 reaction equation
HRID 2093939As productuspto-grants-2013_05

Compound notes

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