N-Isopropyl-1-imidazolecarboxamide - CAS 75472-66-1
Catalog: |
BB035336 |
Product Name: |
N-Isopropyl-1-imidazolecarboxamide |
CAS: |
75472-66-1 |
Synonyms: |
N-propan-2-yl-1-imidazolecarboxamide; N-propan-2-ylimidazole-1-carboxamide |
IUPAC Name: | N-propan-2-ylimidazole-1-carboxamide |
Description: | N-Isopropyl-1-imidazolecarboxamide (CAS# 75472-66-1) is used as a reactant in the preparation of aminopyrimidinyl derivatives as inhibitors of JAK kinases useful in therapy of diseases. |
Molecular Weight: | 153.18 |
Molecular Formula: | C7H11N3O |
Canonical SMILES: | CC(C)NC(=O)N1C=CN=C1 |
InChI: | InChI=1S/C7H11N3O/c1-6(2)9-7(11)10-4-3-8-5-10/h3-6H,1-2H3,(H,9,11) |
InChI Key: | VFVHCGBPLHLWLU-UHFFFAOYSA-N |
MDL: | MFCD11099729 |
LogP: | 1.05360 |
Publication Number | Title | Priority Date |
AU-2015304883-A1 | Aminopyrimidinyl compounds as JAK inhibitors | 20140821 |
DK-3183247-T3 | Aminopyrimidinyl compounds as JAK inhibitors | 20140821 |
EP-3183247-A1 | Aminopyrimidinyl compounds as jak inhibitors | 20140821 |
EP-3183247-B1 | Aminopyrimidinyl compounds as jak inhibitors | 20140821 |
EP-3183247-B9 | Aminopyrimidinyl compounds as jak inhibitors | 20140821 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.090211983 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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