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119666-09-0 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester
CAS No: 119666-09-0 Catalog No: AG000PFP MDL No:
Product Description
Catalog Number:
AG000PFP
Chemical Name:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-, 3-methyl 5-[2-[methyl(phenylmethyl)amino]ethyl] ester
CAS Number:
119666-09-0
Molecular Formula:
C30H36N4O4
Molecular Weight:
516.6312
IUPAC Name:
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C30H36N4O4/c1-19(2)28-26(23-14-10-11-15-34(23)32-28)27-24(29(35)37-6)20(3)31-21(4)25(27)30(36)38-17-16-33(5)18-22-12-8-7-9-13-22/h7-15,19,27,31H,16-18H2,1-6H3
InChI Key:
SCUPIRGJNHINID-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)NC(=C(C1c1c(nn2c1cccc2)C(C)C)C(=O)OCCN(Cc1ccccc1)C)C
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.274g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
516.642g/mol
Monoisotopic Mass:
516.274g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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