Rovadicitinib
(3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
Molecular Identity
Rovadicitinib
(3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
PubChem CID: 121427554
2D Structure
Properties
C17H19N7
Molecular Formula
321.40
Molecular Weight
g/mol
321.1702
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)C(CC#N)N2C=C(C(=N2)N)C3=C4C=CNC4=NC=N3Isomeric SMILES
SMILES: C1CCC(C1)[C@@H](CC#N)N2C=C(C(=N2)N)C3=C4C=CNC4=NC=N3Synonyms(20)
Rovadicitinib1948242-59-8A4V35P6KWS(3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile(3R)-3-(3-amino-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)-3-cyclopentylpropanenitrileRefChem:1098160Anxu (China)rovadicitinib [INN]CHEMBL5314485SCHEMBL17858699GTPL12384US10561657, Example 5BDBM433327GLXC-27915example 5 [US10561657B2]
Data from PubChem (NCBI)
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Trials and conditions connected to Rovadicitinib
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