| CAS Number | 330786-25-9 |
| Catalog Number | AG00C6H3(AGN-PC-0R8IBM) |
| Chemical Name | PCI 29732 |
| IUPAC Name | 1-cyclopentyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| InChI | InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25) |
| InChI Key | GMJUPMONHWAZCP-UHFFFAOYSA-N |
| MDL Number | MFCD25976874 |
| Molecular Formula | C22H21N5O |
| Molecular Weight | 371.4350 |
| SMILES | Nc1c2c(nn(c2ncn1)C1CCCC1)c1ccc(cc1)Oc1ccccc1 |
| Synonyms | PCI 29732,
330786-25-9,
PCI-29732,
1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine,
CHEMBL2057912,
SCHEMBL6431516,
GMJUPMONHWAZCP-UHFFFAOYSA-N,
EX-A1822,
PCI29732,
BDBM50388180,
ZINC84703540,
AKOS025142038,
CS-2275,
HY-18010,
4-amino-1-cyclopentyl-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine,
Immepip dihydrobromide,
B1082,
A16262,
164391-47-3,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.444g/mol |
| Monoisotopic Mass | 371.175g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number