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C22H17ClF3N9O2CAS 2647530-73-0531.88 g/mol

Open in Covalent MOL file
NNClHNNONONFFFNNN
Aryl halideSecondary amine

Properties

Molecular formula
C22H17ClF3N9O2
Molar mass
531.88 g/mol
Exact mass
531.1146 Da
logP
2.33Crippen estimate
Polar surface area
117.5 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2647530-73-0
SMILES
CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4F)F)F)CC5=NN(C=N5)C
InChIKey
QMPBBNUOBOFBFS-UHFFFAOYSA-N
InChI
InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)

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Names and synonyms

1 names
  • 1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)-

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Similar compounds

6-Chloro-2-methyl-2H-indazol-5-amine1893125-36-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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