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1417789-01-5 | 3H-Imidazo[4,5-b]pyridine, 3-(3S)-3-pyrrolidinyl-2-(trifluoromethyl)-
CAS No: 1417789-01-5 Catalog No: AG001H26 MDL No:MFCD22631751
Product Description
Catalog Number:
AG001H26
Chemical Name:
3H-Imidazo[4,5-b]pyridine, 3-(3S)-3-pyrrolidinyl-2-(trifluoromethyl)-
CAS Number:
1417789-01-5
Molecular Formula:
C11H11F3N4
Molecular Weight:
256.2270
MDL Number:
MFCD22631751
IUPAC Name:
3-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
InChI:
InChI=1S/C11H11F3N4/c12-11(13,14)10-17-8-2-1-4-16-9(8)18(10)7-3-5-15-6-7/h1-2,4,7,15H,3,5-6H2/t7-/m0/s1
InChI Key:
VGODKWRHTYKUIJ-ZETCQYMHSA-N
SMILES:
FC(c1nc2c(n1[C@@H]1CNCC1)nccc2)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.232g/mol
Monoisotopic Mass:
256.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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