5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one

C33H29F2NO3 — CID 159359236

IUPAC5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESCOc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C33H29F2NO3/c1-20-12-29(39-2)9-10-30(20)31-4-3-11-36-33(31)24(13-21-14-25(34)18-26(35)15-21)17-28(38)16-23-6-5-22-7-8-27(37)19-32(22)23/h3-4,6-12,14-15,18-19,24,37H,5,13,16-17H2,1-2H3
InChIKeyLKSSMXHOXRWOMD-UHFFFAOYSA-N
MW525.60 g/mol
LogP7.36
Rot. Bonds9

About 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one

5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 159359236) has the molecular formula C33H29F2NO3 and a molecular weight of 525.60 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID159359236
Molecular FormulaC33H29F2NO3
Molecular Weight525.60 g/mol
Exact Mass525.21
IUPAC Name5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESCOc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1
InChIInChI=1S/C33H29F2NO3/c1-20-12-29(39-2)9-10-30(20)31-4-3-11-36-33(31)24(13-21-14-25(34)18-26(35)15-21)17-28(38)16-23-6-5-22-7-8-27(37)19-32(22)23/h3-4,6-12,14-15,18-19,24,37H,5,13,16-17H2,1-2H3
InChIKeyLKSSMXHOXRWOMD-UHFFFAOYSA-N
XLogP7.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one (CID 159359236) is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one is COc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is LKSSMXHOXRWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2NO3/c1-20-12-29(39-2)9-10-30(20)31-4-3-11-36-33(31)24(13-21-14-25(34)18-26(35)15-21)17-28(38)16-23-6-5-22-7-8-27(37)19-32(22)23/h3-4,6-12,14-15,18-19,24,37H,5,13,16-17H2,1-2H3.
What are the key properties of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one?
5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 525.60 g/mol, XLogP of 7.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 159359236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).