N-(5-(2,6-difluorobenzyl)-1-methylpiperidin-3-yl)-3-(2-methylpyridin-4-yl)-1-trityl-1H-indazole-5-carboxamide

HCID 70653003

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Basic information

Standard SMILES: Cc1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(C(=O)NC4CC(Cc5c(F)cccc5F)CN(C)C4)cc23)ccn1
InChIKey: RQSYBMYGVAEQQQ-UHFFFAOYSA-N
Molecular formula: C46H41F2N5O
Average molar mass: 717.8 g/mol

Names & identifiers

Preferred name: N-(5-(2,6-difluorobenzyl)-1-methylpiperidin-3-yl)-3-(2-methylpyridin-4-yl)-1-trityl-1H-indazole-5-carboxamide
IUPAC: N-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1-tritylindazole-5-carboxamide

Names & synonyms

SCHEMBL12074460RQSYBMYGVAEQQQ-UHFFFAOYSA-NN-(5-(2,6-difluorobenzyl)-1-methylpiperidin-3-yl)-3-(2-methylpyridin-4-yl)-1-trityl-1H-indazole-5-carboxamide

Database identifiers

PubChem CID: 70653003

Properties

Computed structural properties

XLogP: 9.3
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 54
Formal charge: 0
Complexity: 1,150

Related reactions

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HRID 1467340As productuspto-grants-2015_04

Compound notes

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