| CAS Number | 1173706-34-7 |
| Catalog Number | AG008WII(AGN-PC-0WOZKF) |
| Chemical Name | 5-(5-((4-Cyclopentylpiperazin-1-yl)sulfonyl)-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one |
| IUPAC Name | 5-[5-(4-cyclopentylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C26H36N6O4S/c1-4-8-21-23-24(30(3)29-21)26(33)28-25(27-23)20-17-19(11-12-22(20)36-5-2)37(34,35)32-15-13-31(14-16-32)18-9-6-7-10-18/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,27,28,33) |
| InChI Key | HXKIXTHMBBUCQE-UHFFFAOYSA-N |
| Molecular Formula | C26H36N6O4S |
| Molecular Weight | 528.6668 |
| SMILES | CCCc1nn(C)c2C(=O)N=C(Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C5CCCC5 |
| UNII | P3DP75078L |
| Synonyms | 5-(2-ethoxy-5-(4-cyclopentylpiperazin-1-ylsulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo(4,3-d)pyrimidin-7-one,
cyclopentynafil,
Cyclopentynafil,
UNII-P3DP75078L,
1173706-34-7,
P3DP75078L,
5-(5-((4-Cyclopentylpiperazin-1-yl)sulfonyl)-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one,
7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(5-((4-cyclopentyl-1-piperazinyl)sulfonyl)-2-ethoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-,
|
| Complexity | 941 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.672g/mol |
| Monoisotopic Mass | 528.252g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number