(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

C24H25FN4O — CID 57395113

IUPAC(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21
InChIInChI=1S/C24H25FN4O/c25-17-6-5-16-11-21(27-20(16)12-17)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1
InChIKeyFTHSNABZISUYPK-LUTIACGYSA-N
MW404.49 g/mol
LogP3.27
Rot. Bonds2

About (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone

(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (PubChem CID 57395113) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
PubChem CID57395113
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21
InChIInChI=1S/C24H25FN4O/c25-17-6-5-16-11-21(27-20(16)12-17)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1
InChIKeyFTHSNABZISUYPK-LUTIACGYSA-N
XLogP3.27
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone (CID 57395113) is (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN(C3CCNC3)C2)c2ccccc21.
What is the InChIKey of (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
The InChIKey is FTHSNABZISUYPK-LUTIACGYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-17-6-5-16-11-21(27-20(16)12-17)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m0/s1.
What are the key properties of (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone?
(6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-2-yl)-[(3S)-1'-pyrrolidin-3-ylspiro[2H-indole-3,3'-pyrrolidine]-1-yl]methanone is sourced from PubChem (CID 57395113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).