Methyl 1-Methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylate - CAS 2097133-32-7
Catalog: |
BB076014 |
Product Name: |
Methyl 1-Methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylate |
CAS: |
2097133-32-7 |
Synonyms: |
Cyclohexanecarboxyli c acid, 1- methoxy- 4- [4- methyl- 6- [(5- methyl- 1H- pyrazol- 3- yl) amino] - 2- pyrimidinyl] - , methyl ester |
IUPAC Name: | methyl 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxylate |
Description: | Methyl 1-Methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]cyclohexanecarboxylate may be useful in the preparation of targeted antitumor medicine BLU-667 (pralsetinib). |
Molecular Weight: | 359.42 |
Molecular Formula: | C18H25N5O3 |
Canonical SMILES: | CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)OC)OC |
InChI: | InChI=1S/C18H25N5O3/c1-11-9-14(20-15-10-12(2)22-23-15)21-16(19-11)13-5-7-18(26-4,8-6-13)17(24)25-3/h9-10,13H,5-8H2,1-4H3,(H2,19,20,21,22,23) |
InChI Key: | OUAPGTCAGWBGJT-UHFFFAOYSA-N |
References: | Liu, Y., et al. Faming Zhuanli Shenqing, 12pp., CN 113072541 (2021). |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 359.19573968 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 359.19573968 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 102Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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