5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one

C28H24FN3O3 — CID 155808302

IUPAC5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)c(C1(c3cn(C)c4ccc(OC)cc34)C(=O)Nc3ccc(F)cc31)cn2C
InChIInChI=1S/C28H24FN3O3/c1-31-14-22(19-12-17(34-3)6-9-25(19)31)28(21-11-16(29)5-8-24(21)30-27(28)33)23-15-32(2)26-10-7-18(35-4)13-20(23)26/h5-15H,1-4H3,(H,30,33)
InChIKeyGKDBDLPGECMKCO-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.11
Rot. Bonds4

About 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one

5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one (PubChem CID 155808302) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one
PubChem CID155808302
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)c(C1(c3cn(C)c4ccc(OC)cc34)C(=O)Nc3ccc(F)cc31)cn2C
InChIInChI=1S/C28H24FN3O3/c1-31-14-22(19-12-17(34-3)6-9-25(19)31)28(21-11-16(29)5-8-24(21)30-27(28)33)23-15-32(2)26-10-7-18(35-4)13-20(23)26/h5-15H,1-4H3,(H,30,33)
InChIKeyGKDBDLPGECMKCO-UHFFFAOYSA-N
XLogP5.11
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one?
The IUPAC name of 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one (CID 155808302) is 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one is COc1ccc2c(c1)c(C1(c3cn(C)c4ccc(OC)cc34)C(=O)Nc3ccc(F)cc31)cn2C.
What is the InChIKey of 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one?
The InChIKey is GKDBDLPGECMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-31-14-22(19-12-17(34-3)6-9-25(19)31)28(21-11-16(29)5-8-24(21)30-27(28)33)23-15-32(2)26-10-7-18(35-4)13-20(23)26/h5-15H,1-4H3,(H,30,33).
What are the key properties of 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one?
5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one has a molecular weight of 469.52 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 155808302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).