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1628618-35-8 | 1H-Pyrrolo[3,4-c]pyridine-1,6(2H)-dione, 7-chloro-3,5-dihydro-5-methyl-2-(2-[1,2,4]triazolo[1,5-a]pyridin-2-ylethyl)-
CAS No: 1628618-35-8 Catalog No: AG001THK MDL No:
Product Description
Catalog Number:
AG001THK
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-1,6(2H)-dione, 7-chloro-3,5-dihydro-5-methyl-2-(2-[1,2,4]triazolo[1,5-a]pyridin-2-ylethyl)-
CAS Number:
1628618-35-8
Molecular Formula:
C16H14ClN5O2
Molecular Weight:
343.7677
IUPAC Name:
7-chloro-5-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3H-pyrrolo[3,4-c]pyridine-1,6-dione
InChI:
InChI=1S/C16H14ClN5O2/c1-20-8-10-9-21(15(23)13(10)14(17)16(20)24)7-5-11-18-12-4-2-3-6-22(12)19-11/h2-4,6,8H,5,7,9H2,1H3
InChI Key:
SHVQBYKENDMYEY-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2nc3n(n2)cccc3)Cc2c1c(Cl)c(=O)n(c2)C
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.771g/mol
Monoisotopic Mass:
343.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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