(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one

C127H100F20N12O6 — CID 157243696

IUPAC(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3c(F)cc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cc(F)c(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cccc(C)c23)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/2C32H24F5N3O2.C32H28F2N2O.C31H24F8N4O/c1-38-32(42)27-12-18(4-5-28(27)36)25-3-2-6-39-30(25)19(7-17-8-21(33)13-22(34)9-17)10-24(41)11-20-16-40-31-26(20)14-23(35)15-29(31)37;1-38-32(42)26-12-18(4-5-27(26)35)24-3-2-6-39-31(24)19(7-17-8-21(33)13-22(34)9-17)10-23(41)11-20-16-40-30-15-29(37)28(36)14-25(20)30;1-20-8-10-23(11-9-20)29-6-4-12-35-32(29)24(13-22-14-26(33)18-27(34)15-22)16-28(37)17-25-19-36-30-7-3-5-21(2)31(25)30;1-16(40)24-13-18(4-5-25(24)34)23-3-2-8-41-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(44)15-43-26-6-7-30(35,36)27(26)29(42-43)31(37,38)39/h2*2-6,8-9,12-16,19,40H,7,10-11H2,1H3,(H,38,42);3-12,14-15,18-19,24,36H,13,16-17H2,1-2H3;2-5,8,10-11,13-14,19H,1,6-7,9,12,15,40H2/t2*19-;24-;19-/m1111/s1
InChIKeyAVMUNUPZSWKDKW-ABEPFOSFSA-N
MW2270.23 g/mol
LogP28.61
Rot. Bonds35

About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 157243696) has the molecular formula C127H100F20N12O6 and a molecular weight of 2270.23 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID157243696
Molecular FormulaC127H100F20N12O6
Molecular Weight2270.23 g/mol
Exact Mass2268.76
IUPAC Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3c(F)cc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cc(F)c(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cccc(C)c23)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/2C32H24F5N3O2.C32H28F2N2O.C31H24F8N4O/c1-38-32(42)27-12-18(4-5-28(27)36)25-3-2-6-39-30(25)19(7-17-8-21(33)13-22(34)9-17)10-24(41)11-20-16-40-31-26(20)14-23(35)15-29(31)37;1-38-32(42)26-12-18(4-5-27(26)35)24-3-2-6-39-31(24)19(7-17-8-21(33)13-22(34)9-17)10-23(41)11-20-16-40-30-15-29(37)28(36)14-25(20)30;1-20-8-10-23(11-9-20)29-6-4-12-35-32(29)24(13-22-14-26(33)18-27(34)15-22)16-28(37)17-25-19-36-30-7-3-5-21(2)31(25)30;1-16(40)24-13-18(4-5-25(24)34)23-3-2-8-41-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(44)15-43-26-6-7-30(35,36)27(26)29(42-43)31(37,38)39/h2*2-6,8-9,12-16,19,40H,7,10-11H2,1H3,(H,38,42);3-12,14-15,18-19,24,36H,13,16-17H2,1-2H3;2-5,8,10-11,13-14,19H,1,6-7,9,12,15,40H2/t2*19-;24-;19-/m1111/s1
InChIKeyAVMUNUPZSWKDKW-ABEPFOSFSA-N
XLogP28.61
TPSA269.25 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002270.23
LogP ≤ 528.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-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

Related Compounds

1-[[7-(difluoromethyl)-1-[1-ethyl-3-(methylcarbamoyl)indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylindole-3-carboxamide
CID 132181495
N-[2-[4-[7-(difluoromethyl)-1-[6-fluoro-1-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,6-dimethylindole-3-carboxamide
CID 132181682
5-[7-(difluoromethyl)-3-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3-(methylcarbamoyl)indol-7-yl]prop-2-enyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,1-dimethyl-7-propan-2-ylindole-3-carboxamide
CID 132181856
tert-butyl 1-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-6-[4-[(2S)-2-[3-(3-carbamoylphenyl)pyridin-2-yl]-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-2,6-difluorophenyl]pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-c]pyrazole-4-carboxylate
CID 135215882
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
2-[(4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 142466454
2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 154628911
2-[(3R)-9-(difluoromethyl)-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 156181118
2-[(2S,3R,4R)-9-(difluoromethyl)-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 156181120
2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 156181277
2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 156181278

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one (CID 157243696) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3c(F)cc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cc(F)c(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3cccc(C)c23)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is AVMUNUPZSWKDKW-ABEPFOSFSA-N. The full InChI is InChI=1S/2C32H24F5N3O2.C32H28F2N2O.C31H24F8N4O/c1-38-32(42)27-12-18(4-5-28(27)36)25-3-2-6-39-30(25)19(7-17-8-21(33)13-22(34)9-17)10-24(41)11-20-16-40-31-26(20)14-23(35)15-29(31)37;1-38-32(42)26-12-18(4-5-27(26)35)24-3-2-6-39-31(24)19(7-17-8-21(33)13-22(34)9-17)10-23(41)11-20-16-40-30-15-29(37)28(36)14-25(20)30;1-20-8-10-23(11-9-20)29-6-4-12-35-32(29)24(13-22-14-26(33)18-27(34)15-22)16-28(37)17-25-19-36-30-7-3-5-21(2)31(25)30;1-16(40)24-13-18(4-5-25(24)34)23-3-2-8-41-28(23)19(9-17-10-20(32)14-21(33)11-17)12-22(44)15-43-26-6-7-30(35,36)27(26)29(42-43)31(37,38)39/h2*2-6,8-9,12-16,19,40H,7,10-11H2,1H3,(H,38,42);3-12,14-15,18-19,24,36H,13,16-17H2,1-2H3;2-5,8,10-11,13-14,19H,1,6-7,9,12,15,40H2/t2*19-;24-;19-/m1111/s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 2270.23 g/mol, XLogP of 28.61, 35 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(2R)-5-(5,6-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-(5,7-difluoro-1H-indol-3-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(4-methyl-1H-indol-3-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 157243696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).