2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one

C23H24N4O — CID 57398122

IUPAC2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESO=C1c2cc(N3C[C@@H]4CN[C@@H]4C3)ccc2-c2ccc(N3C[C@@H]4CN[C@@H]4C3)cc21
InChIInChI=1S/C23H24N4O/c28-23-19-5-15(26-9-13-7-24-21(13)11-26)1-3-17(19)18-4-2-16(6-20(18)23)27-10-14-8-25-22(14)12-27/h1-6,13-14,21-22,24-25H,7-12H2/t13-,14-,21+,22+/m0/s1
InChIKeyKYTFRTLVEMVJPY-HCIHMXRSSA-N
MW372.47 g/mol
LogP1.71
Rot. Bonds2

About 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one

2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (PubChem CID 57398122) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
PubChem CID57398122
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one
SMILESO=C1c2cc(N3C[C@@H]4CN[C@@H]4C3)ccc2-c2ccc(N3C[C@@H]4CN[C@@H]4C3)cc21
InChIInChI=1S/C23H24N4O/c28-23-19-5-15(26-9-13-7-24-21(13)11-26)1-3-17(19)18-4-2-16(6-20(18)23)27-10-14-8-25-22(14)12-27/h1-6,13-14,21-22,24-25H,7-12H2/t13-,14-,21+,22+/m0/s1
InChIKeyKYTFRTLVEMVJPY-HCIHMXRSSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The IUPAC name of 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one (CID 57398122) is 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is O=C1c2cc(N3C[C@@H]4CN[C@@H]4C3)ccc2-c2ccc(N3C[C@@H]4CN[C@@H]4C3)cc21.
What is the InChIKey of 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
The InChIKey is KYTFRTLVEMVJPY-HCIHMXRSSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23-19-5-15(26-9-13-7-24-21(13)11-26)1-3-17(19)18-4-2-16(6-20(18)23)27-10-14-8-25-22(14)12-27/h1-6,13-14,21-22,24-25H,7-12H2/t13-,14-,21+,22+/m0/s1.
What are the key properties of 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one?
2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one has a molecular weight of 372.47 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]fluoren-9-one is sourced from PubChem (CID 57398122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).