Basic information
- CAS
1391733-79-1- Standard SMILES
CC(C)(C)OC(=O)N1Cc2cn(CC3CC3)nc2C(CC(=O)O)C1- InChIKey
YOKYTTPSAYTRPX-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-(tert-Butoxycarbonyl)-2-(cyclopropylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-7-yl)acetic acid
- IUPAC
- 2-[2-(cyclopropylmethyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-7-yl]acetic acid
- English name
- 2-(5-(Tert-Butoxycarbonyl)-2-(Cyclopropylmethyl)-4,5,6,7-Tetrahydro-2H-Pyrazolo[4,3-C]Pyridin-7-Yl)Acetic Acid(WX141212)
- Molecular formula
- C17H25N3O4
- Molecular weight
- 335.4
Names & synonyms
1391733-79-12-(5-(tert-Butoxycarbonyl)-2-(cyclopropylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-7-yl)acetic acid2-(5-(tert-butoxycarbonyl)-2-(cyclopropylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-7-yl)aceticacid2H-Pyrazolo[4,3-c]pyridine-7-acetic acid, 2-(cyclopropylmethyl)-5-[(1,1-dimethylethoxy)carbonyl]-4,5,6,7-tetrahydro-2-(5-(Tert-Butoxycarbonyl)-2-(Cyclopropylmethyl)-4,5,6,7-Tetrahydro-2H-Pyrazolo[4,3-C]Pyridin-7-Yl)Acetic Acid(WX141212)
Database identifiers
- CAS
1391733-79-1
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 523 · 523.0±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.10(Predicted)
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…