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1325181-96-1 | (3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CAS No: 1325181-96-1 Catalog No: AG01FOIE MDL No:
Product Description
Catalog Number:
AG01FOIE
Chemical Name:
(3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CAS Number:
1325181-96-1
IUPAC Name:
(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
InChI:
InChI=1S/C16H20N8OS/c1-10-4-6-24(16(25)21-15-22-20-9-26-15)7-12(10)23(2)14-11-3-5-17-13(11)18-8-19-14/h3,5,8-10,12H,4,6-7H2,1-2H3,(H,17,18,19)(H,21,22,25)/t10-,12+/m1/s1
InChI Key:
OHJVTMZYPQOWPS-PWSUYJOCSA-N
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
372.148g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.451g/mol
Monoisotopic Mass:
372.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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