Basic information
- CAS
1143532-51-7- Standard SMILES
NC1(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
JDUBGYFRJFOXQC-QGZVFWFLSA-N- Molecular formula
- C21H25ClN6O2
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.1727518
Overview
See also: Capivasertib (annotation moved to).
Names & identifiers
- Preferred name
- (R)-Capivasertib
- IUPAC
- 4-amino-N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- English name
- (R)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- Molecular formula
- C21H25ClN6O2
- Molecular weight
- 428.92
Names & synonyms
(R)-Capivasertib1143532-51-7(R)-4-amino-N-(1-(4-chlorophenyl)-3-hydroxypropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamideCHEMBL2325741Capivasertib Impurity 1SCHEMBL391382orb3143389CHEMBL6010915JDUBGYFRJFOXQC-QGZVFWFLSA-NBDBM256836BDBM50427349HY-15431A
Show more names
EOS-61197AZD5363 HClCapivasertib ImpurityCapivasertib Impurity 164-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide4-Piperidinecarboxamide, 4-amino-N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-
TYD-02708DA-71200CS-0213608US9492453, 9US9492453, 154-amino-N-[(1R)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Density
- 1.381 · 1.381±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.926 · 13.926±0.50(predicted)
Chemistry & industry
Applications
Uses(R)-Capivasertib ((R)-AZD5363) is the R-enantiomer of Capivasertib (HY-15431)[1].
Suppliers12 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
上海蓓琅生物科技有限公司17764003753 · [email protected]
德州博腾精细化工有限公司[email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
安徽恩特医药科技有限公司18356571950 · [email protected]
上海智乾生物科技有限公司[email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Related reactions
1 records
Compound notes
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