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5-[6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

HCID 178448555
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)CN1CCN(Cc2cc3c(cn2)ncn3-c2cc(OC(C)c3ccccc3C(F)(F)F)c(C(N)=O)s2)CC1
InChIKey
XVROESXDVFCFIX-UHFFFAOYSA-N
Molecular formula
C29H33F3N6O2S
Average molar mass
586.7 g/mol
Monoisotopic mass
586.23377998

Names & identifiers

IUPAC
5-[6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

Database identifiers

PubChem CID
77569289

Properties

Computed structural properties

XLogP
5
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
41
Formal charge
0
Complexity
876

Related reactions

1 records
New reaction record
HRID 299273 reaction equation
HRID 299273As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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