Basic information
- CAS
1079274-94-4- Standard SMILES
CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1- InChIKey
AYOOGWWGECJQPI-NSHDSACASA-N- Molecular formula
- C18H19FN8O
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.16658542
Names & identifiers
- Preferred name
- Utatrectinib
- IUPAC
- N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
- English name
- N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-amine
- Molecular formula
- C18H19FN8O
- Molecular weight
- 382.39
Names & synonyms
utatrectinib1079274-94-4AZD-7451AZD7451VNM956Y27VRefChem:116016TRK Inhibitor AZD7451Tropomyosin Receptor Kinase Inhibitor AZD7451UNII-VNM956Y27VN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)-3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-amineAYOOGWWGECJQPI-NSHDSACASA-N
Show more names
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-isopropoxy-1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridin-5-amine3H-Imidazo[4,5-b]pyridin-5-amine, N-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-3-[5-(1-methylethoxy)-1H-pyrazol-3-yl]-N-[(1S)-1-(5-Fluoro-2-pyrimidinyl)ethyl]-3-[5-(1-methylethoxy)-1H-pyrazol-3-yl]-3H-imidazo[4,5-b]pyridin-5-amine (ACI)
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-[5-(propan-2-yloxy)-1H-pyrazol-3-yl]-3H-imidazo[4,5-b]pyridin-5-amineUTATRECTINIB [INN]orb1737996SCHEMBL3769178CHEMBL3659497SCHEMBL29354506SCHEMBL29690227BDBM98013
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 645.9 · 645.9±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.10(Predicted)
- form
- Solid
- color
- Blue to blue-green
- FDA UNII
- 956 Y27V · VNM956Y27V
Chemistry & industry
Applications
UsesUtatrectinib (AZD-7451) is a potent, selective and orally active Trk inhibitor. Utatrectinib blocks TrkC activation and associated tumorigenic behaviors[1].
Upstream & downstream products
Upstream raw materials
Suppliers7 total
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
甘肃德通医药化学技术有限公司18993961550 18993966060 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
1 records
Compound notes
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