1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

HCID 73407119

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)N2CCCC2C(N)=O)c1)C(F)(F)F
InChIKey: AKJCJJOQRAGWOW-UHFFFAOYSA-N
Molecular formula: C34H37F4N5O4
Average molar mass: 655.7 g/mol

Names & identifiers

Preferred name: 1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
IUPAC: 1-[3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

Names & synonyms

AKJCJJOQRAGWOW-UHFFFAOYSA-N1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

Database identifiers

PubChem CID: 73407119

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 10
Heavy atoms: 47
Formal charge: 0
Complexity: 1,110

Related reactions

3 records

New reaction record

HRID 172396As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 702740As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1546395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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