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1949816-00-5 | Piperazin-1-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone 2,2,2-trifluoroacetate
CAS No: 1949816-00-5 Catalog No: AG01FMP6 MDL No:MFCD29037848
Product Description
Catalog Number:
AG01FMP6
Chemical Name:
Piperazin-1-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone 2,2,2-trifluoroacetate
CAS Number:
1949816-00-5
Molecular Formula:
C14H19F3N4O3
Molecular Weight:
348.3209
MDL Number:
MFCD29037848
IUPAC Name:
piperazin-1-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H18N4O.C2HF3O2/c17-12(15-7-4-13-5-8-15)11-9-10-3-1-2-6-16(10)14-11;3-2(4,5)1(6)7/h9,13H,1-8H2;(H,6,7)
InChI Key:
FILNFGYOJBXNEI-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.O=C(c1cc2n(n1)CCCC2)N1CCNCC1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.326g/mol
Monoisotopic Mass:
348.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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