(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine

HCID 46190876

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Basic information

CAS: 1208863-76-6
Standard SMILES: Cc1[nH]nc2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12
InChIKey: FULBTJANHDAKTA-SFHVURJKSA-N
Molecular formula: C26H23N7O2
Average molar mass: 465.5 g/mol
Monoisotopic mass: 465.191323

Names & identifiers

Preferred name: (S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
IUPAC: (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

Names & synonyms

CHEMBL596290DTXSID801107051BDBM50305881(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine1208863-76-6(I+/-S)-I+/--[[[6-(3-Furanyl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyrazin-5-yl)-3-pyridinyl]oxy]methyl]-1H-indole-3-ethanamine

Database identifiers

CAS: 1208863-76-6
PubChem CID: 46190876
DTXSID: DTXSID801107051
ChEMBL: CHEMBL596290

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 132 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 701

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