| CAS Number | 1450655-76-1 |
| Catalog Number | AG001KIM(AGN-PC-0WNOCT) |
| Chemical Name | 1H-Indole-3-carboxamide, N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl- |
| IUPAC Name | 1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide |
| InChI | InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32) |
| InChI Key | LHGUZCKPFXXVPV-UHFFFAOYSA-N |
| MDL Number | MFCD28167777 |
| Molecular Formula | C27H36N4O5S |
| Molecular Weight | 528.6635 |
| SMILES | CC(NC1=O)=CC(OC)=C1CNC(C2=C(C)N(C(C)C3CCN(S(CC)(=O)=O)CC3)C4=C2C=CC=C4)=O |
| Synonyms | CPI-169 racemate,
1450655-76-1,
CPI-169,
CPI169,
SCHEMBL16381397,
SCHEMBL18936786,
SCHEMBL19554389,
CHEBI:124923,
BCP12650,
MFCD28167777,
CS-3137,
HY-15956,
FT-0700206,
1-(1-(1-(Ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide,
1-[(1R)-1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide,
1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide,
1802175-07-0,
|
| Complexity | 1040 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.241g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.668g/mol |
| Monoisotopic Mass | 528.241g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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