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

C81H77F3N2O10 — CID 161146848

IUPAC5-[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
SMILESCOC(=O)C(=O)C1=CCc2ccc(C)cc21.COC(=O)CC1=CCc2ccc(C)cc21.Cc1ccc2c(c1)C(CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)=CC2.Cc1ccc2c(c1)C(CC(=O)O)=CC2.Cc1ccc2c(c1)C=CC2.O
InChIInChI=1S/C33H27F3N2O2.C13H12O3.C13H14O2.C12H12O2.C10H10.H2O/c1-19-4-5-21-6-7-22(29(21)11-19)15-27(39)16-24(12-20-13-25(34)18-26(35)14-20)32-28(3-2-10-38-32)23-8-9-31(36)30(17-23)33(37)40;1-8-3-4-9-5-6-10(11(9)7-8)12(14)13(15)16-2;1-9-3-4-10-5-6-11(12(10)7-9)8-13(14)15-2;1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8;1-8-5-6-9-3-2-4-10(9)7-8;/h2-5,7-11,13-14,17-18,24H,6,12,15-16H2,1H3,(H2,37,40);3-4,6-7H,5H2,1-2H3;3-4,6-7H,5,8H2,1-2H3;2-3,5-6H,4,7H2,1H3,(H,13,14);2,4-7H,3H2,1H3;1H2/t24-;;;;;/m1...../s1
InChIKeyQPJXHAOFYPCDIM-VQGHGNOBSA-N
MW1295.50 g/mol
LogP15.21
Rot. Bonds15

About 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

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 (PubChem CID 161146848) has the molecular formula C81H77F3N2O10 and a molecular weight of 1295.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID161146848
Molecular FormulaC81H77F3N2O10
Molecular Weight1295.50 g/mol
Exact Mass1294.55
IUPAC Name5-[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
SMILESCOC(=O)C(=O)C1=CCc2ccc(C)cc21.COC(=O)CC1=CCc2ccc(C)cc21.Cc1ccc2c(c1)C(CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)=CC2.Cc1ccc2c(c1)C(CC(=O)O)=CC2.Cc1ccc2c(c1)C=CC2.O
InChIInChI=1S/C33H27F3N2O2.C13H12O3.C13H14O2.C12H12O2.C10H10.H2O/c1-19-4-5-21-6-7-22(29(21)11-19)15-27(39)16-24(12-20-13-25(34)18-26(35)14-20)32-28(3-2-10-38-32)23-8-9-31(36)30(17-23)33(37)40;1-8-3-4-9-5-6-10(11(9)7-8)12(14)13(15)16-2;1-9-3-4-10-5-6-11(12(10)7-9)8-13(14)15-2;1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8;1-8-5-6-9-3-2-4-10(9)7-8;/h2-5,7-11,13-14,17-18,24H,6,12,15-16H2,1H3,(H2,37,40);3-4,6-7H,5H2,1-2H3;3-4,6-7H,5,8H2,1-2H3;2-3,5-6H,4,7H2,1H3,(H,13,14);2,4-7H,3H2,1H3;1H2/t24-;;;;;/m1...../s1
InChIKeyQPJXHAOFYPCDIM-VQGHGNOBSA-N
XLogP15.21
TPSA211.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.50
LogP ≤ 515.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 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 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

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
CID 157220268
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-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
CID 152945139
(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
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
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane
CID 158386479
1-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 148926034
5-[2-[(2R)-5-[3-(difluoromethyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 157327032
2-[1-tert-butylsulfinyl-3-(3,5-difluorophenyl)propan-2-yl]-3-(4-chlorophenyl)pyrazine;1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethanamine;4-[3-(4-chlorophenyl)pyrazin-2-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;2-(6-hydroxy-3H-inden-1-yl)acetic acid;methane;molecular hydrogen
CID 157200011
5-[2-[(2R)-5-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 162186523
5-[2-[(2R)-5-(5-acetyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 159427527

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(=O)C1=CCc2ccc(C)cc21.COC(=O)CC1=CCc2ccc(C)cc21.Cc1ccc2c(c1)C(CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)=CC2.Cc1ccc2c(c1)C(CC(=O)O)=CC2.Cc1ccc2c(c1)C=CC2.O.
What is the InChIKey of 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?
The InChIKey is QPJXHAOFYPCDIM-VQGHGNOBSA-N. The full InChI is InChI=1S/C33H27F3N2O2.C13H12O3.C13H14O2.C12H12O2.C10H10.H2O/c1-19-4-5-21-6-7-22(29(21)11-19)15-27(39)16-24(12-20-13-25(34)18-26(35)14-20)32-28(3-2-10-38-32)23-8-9-31(36)30(17-23)33(37)40;1-8-3-4-9-5-6-10(11(9)7-8)12(14)13(15)16-2;1-9-3-4-10-5-6-11(12(10)7-9)8-13(14)15-2;1-8-2-3-9-4-5-10(7-12(13)14)11(9)6-8;1-8-5-6-9-3-2-4-10(9)7-8;/h2-5,7-11,13-14,17-18,24H,6,12,15-16H2,1H3,(H2,37,40);3-4,6-7H,5H2,1-2H3;3-4,6-7H,5,8H2,1-2H3;2-3,5-6H,4,7H2,1H3,(H,13,14);2,4-7H,3H2,1H3;1H2/t24-;;;;;/m1...../s1.
What are the key properties of 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?
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 has a molecular weight of 1295.50 g/mol, XLogP of 15.21, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161146848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).