2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile



Compound number:
MolPort-023-219-125
CAS number: 1187594-09-7; 1187594-09-7
IUPAC:
2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile
IUPAC traditional:
2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrazol-1-yl)azetidin-3-yl]acetonitrile
SMILES:
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
InChI key:
XUZMWHLSFXCVMG-UHFFFAOYSA-N
Molecular formula:
C16H17N7O2S
Molecular weight: 371.42
Solubility: not available

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Catalog: Building blocks Ships out: 11 business days Purity: 98%
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More Information

Compound Identifiers
Compound number: MolPort-023-219-125
CAS number: 1187594-09-7; 1187594-09-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000073069247
MFCD21608464
1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile
2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-
Baricitinib
Baricitinib (LY3009104)
Baricitinib (LY3009104, INCB028050)
INCB 28050

InChI
InChI: 1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
InChI key: XUZMWHLSFXCVMG-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C16H17N7O2S
Molecular weight: 371.42

Other

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