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

C32H26F2N2O3 — CID 153149409

IUPAC3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C32H26F2N2O3/c33-25-12-19(13-26(34)17-25)11-24(16-28(38)15-22-7-6-20-8-9-27(37)18-30(20)22)31-29(5-2-10-36-31)21-3-1-4-23(14-21)32(35)39/h1-5,7-10,12-14,17-18,24,37H,6,11,15-16H2,(H2,35,39)/t24-/m1/s1
InChIKeyWAEJKCOPXFSYLE-XMMPIXPASA-N
MW524.57 g/mol
LogP6.15
Rot. Bonds9

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

3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide (PubChem CID 153149409) has the molecular formula C32H26F2N2O3 and a molecular weight of 524.57 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]benzamide.

Molecular Properties

Compound Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
PubChem CID153149409
Molecular FormulaC32H26F2N2O3
Molecular Weight524.57 g/mol
Exact Mass524.19
IUPAC Name3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C32H26F2N2O3/c33-25-12-19(13-26(34)17-25)11-24(16-28(38)15-22-7-6-20-8-9-27(37)18-30(20)22)31-29(5-2-10-36-31)21-3-1-4-23(14-21)32(35)39/h1-5,7-10,12-14,17-18,24,37H,6,11,15-16H2,(H2,35,39)/t24-/m1/s1
InChIKeyWAEJKCOPXFSYLE-XMMPIXPASA-N
XLogP6.15
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811199
5-(6-Fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 24811550
4-[1-(3,5-Difluoro-4-hydroxyphenyl)-3-(4-methoxyphenyl)pyrrol-2-yl]-3-methylbenzamide
CID 46179656
4-[(3-Hydroxy-4-pyridin-2-yl-benzylamino)-methylene]-6-iodo-4H-isoquinoline-1,3-dione
CID 135863111
[16-(4-Hydroxy-2-methylphenyl)-16-oxohexadecyl]-diphenyl-pyridin-2-ylphosphanium bromide
CID 155520486
2-Amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide
CID 171934730
(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
(4-Fluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3-methylphenyl)-2-pyridinyl]methanone
CID 56969903
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
CID 122186028
(4-Fluoro-3-hydroxyphenyl)-[5-(3-fluoro-4-hydroxyphenyl)-2-pyridinyl]methanone
CID 134132086
N-hydroxy-3-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzamide
CID 166625360

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]benzamide?
The IUPAC name of 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide (CID 153149409) is 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide.
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]benzamide?
The canonical SMILES for 3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide is NC(=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]benzamide?
The InChIKey is WAEJKCOPXFSYLE-XMMPIXPASA-N. The full InChI is InChI=1S/C32H26F2N2O3/c33-25-12-19(13-26(34)17-25)11-24(16-28(38)15-22-7-6-20-8-9-27(37)18-30(20)22)31-29(5-2-10-36-31)21-3-1-4-23(14-21)32(35)39/h1-5,7-10,12-14,17-18,24,37H,6,11,15-16H2,(H2,35,39)/t24-/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]benzamide?
3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide has a molecular weight of 524.57 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 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]benzamide is sourced from PubChem (CID 153149409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).