ritlecitinib
1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
Molecular Identity
ritlecitinib
1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
PubChem CID: 118115473
Ritlecitinib is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted at position 4 by a [(3R,6S)-6-methyl-1-(prop-2-enoyl)piperidin-3-yl]amino group. It is a dual inhibitor of Janus kinase 3 and the TEC family of tyrosine kinases. It has a role as an anti-inflammatory drug, an immunosuppressive agent, an antirheumatic drug, a dermatologic drug and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a tertiary carboxamide, a member of acrylamides, a pyrrolopyrimidine, a N-acylpiperidine and a secondary amino compound. It is a conjugate base of a ritlecitinib(1+).
2D Structure
Properties
C15H19N5O
Molecular Formula
285.34
Molecular Weight
g/mol
285.1590
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
73.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
402
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ritlecitinib1792180-81-4PF-066516002-Propen-1-one, 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2OYE00PC25PF066516001-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-onePF 066516002-PROPEN-1-ONE, 1-((2S,5R)-2-METHYL-5-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-1-PIPERIDINYL)-1-((2S,5R)-2-methyl-5-((7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)prop-2-en-1-one1-((2S,5R)-2-methyl-5-(7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)piperidin-1-yl)prop-2-en-1-one1-{(2S,5R)-2-Methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}prop-2-en-1-oneRefChem:179511JAK3 Inhibitor PF-06651600815-269-7
Data from PubChem (NCBI)
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