| CAS Number | 1196541-47-5 |
| Catalog Number | AG01EOPK(AGN-PC-3H46H0) |
| Chemical Name | GDC-0575 |
| IUPAC Name | N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide |
| InChI | InChI=1S/C16H20BrN5O/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23) |
| InChI Key | BAZRWWGASYWYGB-UHFFFAOYSA-N |
| MDL Number | MFCD29048675 |
| Molecular Formula | C16H20BrN5O |
| Molecular Weight | 378.2669 |
| SMILES | N(C(=O)C1CC1)c1c2c(c(Br)cnc2[nH]c1)N1C[C@H](N)CCC1 |
| Synonyms | (R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo(2,3-b)pyridin-3-yl) cyclopropanecarboxamide,
GDC-0575,
GDC-0575,
1196541-47-5,
(R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopropanecarboxamide,
SCHEMBL618599,
BCP20675,
AK680809,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.274g/mol |
| Monoisotopic Mass | 377.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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