3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide

C34H30F2N2O3 — CID 158729775

IUPAC3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C34H30F2N2O3/c1-38(2)34(41)25-6-3-5-23(16-25)31-7-4-12-37-33(31)26(13-21-14-27(35)19-28(36)15-21)18-30(40)17-24-9-8-22-10-11-29(39)20-32(22)24/h3-7,9-12,14-16,19-20,26,39H,8,13,17-18H2,1-2H3/t26-/m1/s1
InChIKeyUPMAFOQCTOPIMG-AREMUKBSSA-N
MW552.62 g/mol
LogP6.75
Rot. Bonds9

About 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide

3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 158729775) has the molecular formula C34H30F2N2O3 and a molecular weight of 552.62 g/mol. Its IUPAC name is 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID158729775
Molecular FormulaC34H30F2N2O3
Molecular Weight552.62 g/mol
Exact Mass552.22
IUPAC Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C34H30F2N2O3/c1-38(2)34(41)25-6-3-5-23(16-25)31-7-4-12-37-33(31)26(13-21-14-27(35)19-28(36)15-21)18-30(40)17-24-9-8-22-10-11-29(39)20-32(22)24/h3-7,9-12,14-16,19-20,26,39H,8,13,17-18H2,1-2H3/t26-/m1/s1
InChIKeyUPMAFOQCTOPIMG-AREMUKBSSA-N
XLogP6.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.62
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[1-(3,5-Difluoro-4-hydroxyphenyl)-3-(4-methoxyphenyl)pyrrol-2-yl]-3-methylbenzamide
CID 46179656
[16-(4-Hydroxy-2-methylphenyl)-16-oxohexadecyl]-diphenyl-pyridin-2-ylphosphanium bromide
CID 155520486
(6-Hydroxy-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone
CID 11675672
2-(3-(6-Hydroxynaphthalen-2-yl)propanamido)-5-(6-(trifluoromethyl)pyridin-3-yl)cyclohex-1-enecarboxylic acid
CID 46890328
[5-(4-Hydroxy-3-methylphenyl)-2-pyridinyl]-(3-hydroxyphenyl)methanone
CID 56969902
(4-Fluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
CID 56969903
(4-Fluoro-3-hydroxyphenyl)-[5-(3-fluoro-4-hydroxyphenyl)-2-pyridinyl]methanone
CID 134132086
[3-(4-Fluorophenyl)-5-(4-hydroxy-3-methyl-phenyl)-3,4-dihydropyrazol-2-yl]-(4-pyridyl)methanone
CID 135541367
3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
CID 166634188
7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one
CID 146018703
(E)-3-[2-(6-fluoro-3-pyridinyl)phenyl]-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 118725325
2-fluoro-N-[6-(4-hydroxyphenyl)quinolin-4-yl]-N-phenylbenzamide
CID 122182363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide (CID 158729775) is 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is UPMAFOQCTOPIMG-AREMUKBSSA-N. The full InChI is InChI=1S/C34H30F2N2O3/c1-38(2)34(41)25-6-3-5-23(16-25)31-7-4-12-37-33(31)26(13-21-14-27(35)19-28(36)15-21)18-30(40)17-24-9-8-22-10-11-29(39)20-32(22)24/h3-7,9-12,14-16,19-20,26,39H,8,13,17-18H2,1-2H3/t26-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 552.62 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158729775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).