(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one

C30H23F3N2O — CID 152945139

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
SMILESO=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccnc1
InChIInChI=1S/C30H23F3N2O/c31-24-8-7-20-5-6-21(29(20)17-24)14-27(36)15-23(11-19-12-25(32)16-26(33)13-19)30-28(4-2-10-35-30)22-3-1-9-34-18-22/h1-4,6-10,12-13,16-18,23H,5,11,14-15H2/t23-/m1/s1
InChIKeyUNPFVSPSZLHHRM-HSZRJFAPSA-N
MW484.52 g/mol
LogP6.88
Rot. Bonds8

About (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one (PubChem CID 152945139) has the molecular formula C30H23F3N2O and a molecular weight of 484.52 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
PubChem CID152945139
Molecular FormulaC30H23F3N2O
Molecular Weight484.52 g/mol
Exact Mass484.18
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
SMILESO=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccnc1
InChIInChI=1S/C30H23F3N2O/c31-24-8-7-20-5-6-21(29(20)17-24)14-27(36)15-23(11-19-12-25(32)16-26(33)13-19)30-28(4-2-10-35-30)22-3-1-9-34-18-22/h1-4,6-10,12-13,16-18,23H,5,11,14-15H2/t23-/m1/s1
InChIKeyUNPFVSPSZLHHRM-HSZRJFAPSA-N
XLogP6.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one
CID 152976672
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
CID 148914381
2-chloro-4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide
CID 147184600
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
CID 157220268
4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 158323800
4-[6-amino-3-(3-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
CID 149489425
4-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
CID 158130879
(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158575213
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-methyl-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-methyl-1H-indene;2-(6-methyl-3H-inden-1-yl)acetic acid;methyl 2-(6-methyl-3H-inden-1-yl)acetate;methyl 2-(6-methyl-3H-inden-1-yl)-2-oxoacetate;hydrate
CID 161146848
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
CID 158246258
(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one
CID 157211775
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide
CID 157400907

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one (CID 152945139) is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one is O=C(CC1=CCc2ccc(F)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccnc1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one?
The InChIKey is UNPFVSPSZLHHRM-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H23F3N2O/c31-24-8-7-20-5-6-21(29(20)17-24)14-27(36)15-23(11-19-12-25(32)16-26(33)13-19)30-28(4-2-10-35-30)22-3-1-9-34-18-22/h1-4,6-10,12-13,16-18,23H,5,11,14-15H2/t23-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one has a molecular weight of 484.52 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 152945139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).