4-{[(tert-butoxy)carbonyl]amino}-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acid - CAS 956460-96-1
Catalog: |
BB041789 |
Product Name: |
4-{[(tert-butoxy)carbonyl]amino}-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acid |
CAS: |
956460-96-1 |
Synonyms: |
4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid; 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid |
Description: | 4-{[(tert-butoxy)carbonyl]amino}-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylic acid (CAS# 956460-96-1 ) is a useful research chemical. |
Molecular Weight: | 361.402 |
Molecular Formula: | C17H23N5O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1(CCN(CC1)C2=NC=NC3=C2C=CN3)C(=O)O |
InChI: | InChI=1S/C17H23N5O4/c1-16(2,3)26-15(25)21-17(14(23)24)5-8-22(9-6-17)13-11-4-7-18-12(11)19-10-20-13/h4,7,10H,5-6,8-9H2,1-3H3,(H,21,25)(H,23,24)(H,18,19,20) |
InChI Key: | BXOSYQSFTOLZST-UHFFFAOYSA-N |
Density: | 1.37±0.1 g/cm3 (20 °C, 760 mmH g) |
LogP: | 2.36210 |
Publication Number | Title | Priority Date |
WO-2019173516-A1 | Serine threonine kinase (akt) degradation / disruption compounds and methods of use | 20180306 |
US-2020399266-A1 | Serine threonine kinase (akt) degradation / disruption compounds and methods of use | 20180306 |
AU-2015265696-A1 | Processes for the preparation of AZD5363 and novel intermediate used therein | 20140528 |
AU-2015265696-B2 | Processes for the preparation of AZD5363 and novel intermediate used therein | 20140528 |
CA-2948444-A1 | Processes for the preparation of azd5363 and novel intermediate used therein | 20140528 |
Complexity: | 542 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 361.17500423 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 361.17500423 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 120 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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