| CAS Number | 1951483-29-6 |
| Catalog Number | AG01EB24(AGN-PC-0WGGJW) |
| Chemical Name | 5,6-Dihydro-6,6-dimethyl-2-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-5-[2-(4-morpholinyl)ethyl]-4H-thieno[2,3-c]pyrrol-4-one |
| IUPAC Name | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one |
| InChI | InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26) |
| InChI Key | JNPRPMBJODOFEC-UHFFFAOYSA-N |
| MDL Number | MFCD31544324 |
| Molecular Formula | C22H27N7O2S |
| Molecular Weight | 453.5605 |
| SMILES | O=C1C(C=C(C4=NC(NC5=CC=NN5C)=NC=C4)S3)=C3C(C)(C)N1CCN2CCOCC2 |
| Synonyms | LY3214996,
1951483-29-6,
6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one,
GTPL9975,
SCHEMBL17837273,
BCP19982,
EX-A2560,
CS-6974,
AK689304,
HY-101494,
LY 3214996,
A16843,
6,6-dimethyl-2-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-5-(2-morpholinoethyl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one,
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| Complexity | 677 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 453.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 453.565g/mol |
| Monoisotopic Mass | 453.195g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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