| CAS Number | 1802175-06-9 |
| Catalog Number | AG00ABNH |
| Chemical Name | N-[(1,2-Dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[(1R)-1-(tetrahydro-2H-pyran-4-yl)ethyl]-1H-indole-3-carboxamide |
| IUPAC Name | N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide |
| InChI | InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1 |
| InChI Key | PFPSFENQCNMITC-MRXNPFEDSA-N |
| MDL Number | MFCD28167834 |
| Molecular Formula | C25H31N3O4 |
| Molecular Weight | 437.5313 |
| SMILES | [C@H](C)(N1C=2C(C(C(NCC3=C(OC)C=C(C)NC3=O)=O)=C1C)=CC=CC2)C4CCOCC4 |
| Synonyms | CPI-360,
1802175-06-9,
SCHEMBL18463039,
EX-A676,
CPI-360 (R),
MFCD28167834,
s7656,
AKOS030526108,
ZINC205767583,
CS-3437,
NCGC00390645-01,
HY-15955,
B4836,
J-690248,
(R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(tetrahydro-2H-pyran-4-yl)ethyl)-1H-indole-3-carboxamide,
N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[(1R)-1-(tetrahydro-2H-pyran-4-yl)ethyl]-1H-indole-3-carboxamide,
Pardoprunox,
CHEMBL3605456,
A15908,
|
| Complexity | 786 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.54g/mol |
| Monoisotopic Mass | 437.231g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number