(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane

C97H86F9N5O7 — CID 160874077

IUPAC(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane
SMILESC.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)c3c2C(C)CCC3)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1
InChIInChI=1S/C34H31F5N2O2.C32H26F2N2O3.C30H25F2NO2.CH4/c1-20-6-3-9-30-31(34(37,38)39)19-41(33(20)30)18-28(43)16-25(12-22-13-26(35)17-27(36)14-22)32-29(10-5-11-40-32)24-8-4-7-23(15-24)21(2)42;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23;/h4-5,7-8,10-11,13-15,17,19-20,25H,3,6,9,12,16,18H2,1-2H3;2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2;1H4/t20?,25-;25-;24-;/m111./s1
InChIKeySMDMNBKKWFJSHS-GBTVNJAGSA-N
MW1604.76 g/mol
LogP21.49
Rot. Bonds25

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane (PubChem CID 160874077) has the molecular formula C97H86F9N5O7 and a molecular weight of 1604.76 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane
PubChem CID160874077
Molecular FormulaC97H86F9N5O7
Molecular Weight1604.76 g/mol
Exact Mass1603.64
IUPAC Name(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane
SMILESC.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)c3c2C(C)CCC3)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1
InChIInChI=1S/C34H31F5N2O2.C32H26F2N2O3.C30H25F2NO2.CH4/c1-20-6-3-9-30-31(34(37,38)39)19-41(33(20)30)18-28(43)16-25(12-22-13-26(35)17-27(36)14-22)32-29(10-5-11-40-32)24-8-4-7-23(15-24)21(2)42;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23;/h4-5,7-8,10-11,13-15,17,19-20,25H,3,6,9,12,16,18H2,1-2H3;2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2;1H4/t20?,25-;25-;24-;/m111./s1
InChIKeySMDMNBKKWFJSHS-GBTVNJAGSA-N
XLogP21.49
TPSA182.04 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.76
LogP ≤ 521.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
CID 157188700
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 158892658
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane
CID 159368455
(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 158661287
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one
CID 161822534
2-(5,6-Diacetyl-1,3-dihydroisoindol-2-yl)-1-[4-[3-[5-[2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridinyl]propyl]-4-propylpiperidin-1-yl]ethanone;3-methylpiperidine-2,6-dione
CID 170728757

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane?
The IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane (CID 160874077) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane.
What is the SMILES notation for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane?
The canonical SMILES for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane is C.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)c3c2C(C)CCC3)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1.
What is the InChIKey of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane?
The InChIKey is SMDMNBKKWFJSHS-GBTVNJAGSA-N. The full InChI is InChI=1S/C34H31F5N2O2.C32H26F2N2O3.C30H25F2NO2.CH4/c1-20-6-3-9-30-31(34(37,38)39)19-41(33(20)30)18-28(43)16-25(12-22-13-26(35)17-27(36)14-22)32-29(10-5-11-40-32)24-8-4-7-23(15-24)21(2)42;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23;/h4-5,7-8,10-11,13-15,17,19-20,25H,3,6,9,12,16,18H2,1-2H3;2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2;1H4/t20?,25-;25-;24-;/m111./s1.
What are the key properties of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane?
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane has a molecular weight of 1604.76 g/mol, XLogP of 21.49, 25 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;methane is sourced from PubChem (CID 160874077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).