(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide

HCID 58201640
Substructure searchFind similar structures

Basic information

Standard SMILES
C[C@H](NC(=O)[C@@H]1CCCN1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2
InChIKey
OLDNOFPMRQWVQG-NKLHJNDUSA-N
Molecular formula
C29H29FN4O4
Average molar mass
516.6 g/mol
Monoisotopic mass
516.21728358

Names & identifiers

Preferred name
(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide
IUPAC
(2S)-N-[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL836239OLDNOFPMRQWVQG-NKLHJNDUSA-N(S)-N-((1R,2S)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)pyrrolidine-2-carboxamide

Database identifiers

PubChem CID
58201640

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
86.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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