1-(5-(2-Fluorophenyl)pyrimidin-2-yl)-N-(1-(hydroxymethyl)cyclopropyl)-N-methyl-3-(methylsulfinyl)-1H-indole-6-carboxamide

HCID 118666100

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Basic information

Standard SMILES: CN(C(=O)c1ccc2c(S(C)=O)cn(-c3ncc(-c4ccccc4F)cn3)c2c1)C1(CO)CC1
InChIKey: CKJALBCTLMVTKW-UHFFFAOYSA-N
Molecular formula: C25H23FN4O3S
Average molar mass: 478.5 g/mol
Monoisotopic mass: 478.14748994

Names & identifiers

Preferred name: 1-(5-(2-Fluorophenyl)pyrimidin-2-yl)-N-(1-(hydroxymethyl)cyclopropyl)-N-methyl-3-(methylsulfinyl)-1H-indole-6-carboxamide
IUPAC: 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-3-methylsulfinylindole-6-carboxamide

Names & synonyms

SCHEMBL17443657CKJALBCTLMVTKW-UHFFFAOYSA-N1-(5-(2-Fluorophenyl)pyrimidin-2-yl)-N-(1-(hydroxymethyl)cyclopropyl)-N-methyl-3-(methylsulfinyl)-1H-indole-6-carboxamide

Database identifiers

PubChem CID: 118666100

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 775

Related reactions

1 records

New reaction record

HRID 630489As productuspto-grants-2016_04

Compound notes

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