1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one

C31H28F2N2O — CID 153184775

IUPAC1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)C(F)(F)c1cc(-c3ccc4c(c3)CC([C@@H]3[C@H]5CC[C@H](C5)N3C)=N4)ccc1-2
InChIInChI=1S/C31H28F2N2O/c1-3-29(36)19-6-10-24-23-9-5-18(14-25(23)31(32,33)26(24)15-19)17-7-11-27-21(12-17)16-28(34-27)30-20-4-8-22(13-20)35(30)2/h5-7,9-12,14-15,20,22,30H,3-4,8,13,16H2,1-2H3/t20-,22+,30-/m0/s1
InChIKeyWGWDGBVVIODNGE-QCAMCUJPSA-N
MW482.57 g/mol
LogP7.18
Rot. Bonds4

About 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one

1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one (PubChem CID 153184775) has the molecular formula C31H28F2N2O and a molecular weight of 482.57 g/mol. Its IUPAC name is 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one
PubChem CID153184775
Molecular FormulaC31H28F2N2O
Molecular Weight482.57 g/mol
Exact Mass482.22
IUPAC Name1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)C(F)(F)c1cc(-c3ccc4c(c3)CC([C@@H]3[C@H]5CC[C@H](C5)N3C)=N4)ccc1-2
InChIInChI=1S/C31H28F2N2O/c1-3-29(36)19-6-10-24-23-9-5-18(14-25(23)31(32,33)26(24)15-19)17-7-11-27-21(12-17)16-28(34-27)30-20-4-8-22(13-20)35(30)2/h5-7,9-12,14-15,20,22,30H,3-4,8,13,16H2,1-2H3/t20-,22+,30-/m0/s1
InChIKeyWGWDGBVVIODNGE-QCAMCUJPSA-N
XLogP7.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2E)-3,3-difluoro-2-[2-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]prop-2-enylidene]-1-methylideneinden-5-yl]propan-1-one
CID 160060851
5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
CID 160699866

Frequently Asked Questions

What is the IUPAC name of 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one?
The IUPAC name of 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one (CID 153184775) is 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one.
What is the SMILES notation for 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one?
The canonical SMILES for 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one is CCC(=O)c1ccc2c(c1)C(F)(F)c1cc(-c3ccc4c(c3)CC([C@@H]3[C@H]5CC[C@H](C5)N3C)=N4)ccc1-2.
What is the InChIKey of 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one?
The InChIKey is WGWDGBVVIODNGE-QCAMCUJPSA-N. The full InChI is InChI=1S/C31H28F2N2O/c1-3-29(36)19-6-10-24-23-9-5-18(14-25(23)31(32,33)26(24)15-19)17-7-11-27-21(12-17)16-28(34-27)30-20-4-8-22(13-20)35(30)2/h5-7,9-12,14-15,20,22,30H,3-4,8,13,16H2,1-2H3/t20-,22+,30-/m0/s1.
What are the key properties of 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one?
1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one has a molecular weight of 482.57 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indol-5-yl]fluoren-2-yl]propan-1-one is sourced from PubChem (CID 153184775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).