(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

HCID 59420164

Basic information

Standard SMILES
CC(C)(C)C(=O)OCn1ccc2c(-c3cnn(C(CC(N)=O)C4CCCC4)c3)ncnc21
InChIKey
QFRRZIPSWUAYQO-UHFFFAOYSA-N
Molecular formula
C23H30N6O3
Average molar mass
438.5 g/mol
Monoisotopic mass
438.23793884

Names & identifiers

Preferred name
(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
IUPAC
[4-[1-(3-amino-1-cyclopentyl-3-oxopropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate

Names & synonyms

(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate(4-(1-(3-amino-1-cyclopentyl-3-oxopropyl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalateSCHEMBL2994164QFRRZIPSWUAYQO-UHFFFAOYSA-N

Database identifiers

PubChem CID
59420164

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

Related reactions

17 records

Linked notes

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