N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]-1-methyl-1H-pyrazole-3-carboxamide Trifluoroacetate

HCID 69014372
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Basic information

Standard SMILES
Cn1ccc(C(=O)Nc2cc3cc(c2)Nc2nc(ncc2Cl)Nc2cccc(c2)CC3)n1.O=C(O)C(F)(F)F
InChIKey
SIZFPLONJMOBQD-UHFFFAOYSA-N
Molecular formula
C25H21ClF3N7O3
Average molar mass
559.9 g/mol

Names & identifiers

Preferred name
N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]-1-methyl-1H-pyrazole-3-carboxamide Trifluoroacetate
IUPAC
N-(6-chloro-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9,11,13(21),16(20),17-nonaen-11-yl)-1-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

Names & synonyms

N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]-1-methyl-1H-pyrazole-3-carboxamide TrifluoroacetateSCHEMBL4355905

Database identifiers

PubChem CID
69014372

Properties

Computed structural properties

Topological polar surface area
134 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
2
Heavy atoms
39

Related reactions

1 records
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Compound notes

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