1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one

C159H132F27N19O10 — CID 159381776

IUPAC1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one
SMILESC#Cc1cc(-c2cccnc2[C@@H](CC(=O)Cc2cccc3ccc(OC)cc23)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)cnc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(C)C)Cc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C35H26F3NO2.C33H31F8N5O.C32H26F5N3O3.C31H27F5N6O2.C28H22F6N4O2/c1-3-23-17-26(10-12-34(23)38)32-8-5-13-39-35(32)27(14-22-15-28(36)20-29(37)16-22)19-30(40)18-25-7-4-6-24-9-11-31(41-2)21-33(24)25;1-31(2)6-7-33(40,41)28-25(31)27(29(36)37)45-46(28)16-22(47)12-18(9-17-10-20(34)14-21(35)11-17)26-23(5-4-8-43-26)19-13-24(32(3,38)39)30(42)44-15-19;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-17-27(14-37)29(31(34,35)36)40-42(17)16-24(44)11-20(8-19-9-22(32)13-23(33)10-19)28-25(6-5-7-38-28)21-12-26(18(2)43)30(39-15-21)41(3)4;1-15(39)24-12-18(5-6-25(24)31)23-4-3-7-35-26(23)19(8-17-9-20(29)13-21(30)10-17)11-22(40)14-38-16(2)36-27(37-38)28(32,33)34/h1,4-13,15-17,20-21,27H,14,18-19H2,2H3;4-5,8,10-11,13-15,18,29H,6-7,9,12,16H2,1-3H3,(H2,42,44);3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;5-7,9-10,12-13,15,20H,8,11,16H2,1-4H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;18-;2*20-;19-/m11111/s1
InChIKeyLKZRETHYXFGNPN-BYNGQOMZSA-N
MW2981.87 g/mol
LogP35.59
Rot. Bonds48

About 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one

1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one (PubChem CID 159381776) has the molecular formula C159H132F27N19O10 and a molecular weight of 2981.87 g/mol. Its IUPAC name is 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one
PubChem CID159381776
Molecular FormulaC159H132F27N19O10
Molecular Weight2981.87 g/mol
Exact Mass2980.00
IUPAC Name1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one
SMILESC#Cc1cc(-c2cccnc2[C@@H](CC(=O)Cc2cccc3ccc(OC)cc23)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)cnc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(C)C)Cc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C35H26F3NO2.C33H31F8N5O.C32H26F5N3O3.C31H27F5N6O2.C28H22F6N4O2/c1-3-23-17-26(10-12-34(23)38)32-8-5-13-39-35(32)27(14-22-15-28(36)20-29(37)16-22)19-30(40)18-25-7-4-6-24-9-11-31(41-2)21-33(24)25;1-31(2)6-7-33(40,41)28-25(31)27(29(36)37)45-46(28)16-22(47)12-18(9-17-10-20(34)14-21(35)11-17)26-23(5-4-8-43-26)19-13-24(32(3,38)39)30(42)44-15-19;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-17-27(14-37)29(31(34,35)36)40-42(17)16-24(44)11-20(8-19-9-22(32)13-23(33)10-19)28-25(6-5-7-38-28)21-12-26(18(2)43)30(39-15-21)41(3)4;1-15(39)24-12-18(5-6-25(24)31)23-4-3-7-35-26(23)19(8-17-9-20(29)13-21(30)10-17)11-22(40)14-38-16(2)36-27(37-38)28(32,33)34/h1,4-13,15-17,20-21,27H,14,18-19H2,2H3;4-5,8,10-11,13-15,18,29H,6-7,9,12,16H2,1-3H3,(H2,42,44);3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;5-7,9-10,12-13,15,20H,8,11,16H2,1-4H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;18-;2*20-;19-/m11111/s1
InChIKeyLKZRETHYXFGNPN-BYNGQOMZSA-N
XLogP35.59
TPSA390.31 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds48
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002981.87
LogP ≤ 535.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one?
The IUPAC name of 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one (CID 159381776) is 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one.
What is the SMILES notation for 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one?
The canonical SMILES for 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one is C#Cc1cc(-c2cccnc2[C@@H](CC(=O)Cc2cccc3ccc(OC)cc23)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)cnc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(C)C)Cc2cc(F)cc(F)c2)cnc1N.
What is the InChIKey of 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one?
The InChIKey is LKZRETHYXFGNPN-BYNGQOMZSA-N. The full InChI is InChI=1S/C35H26F3NO2.C33H31F8N5O.C32H26F5N3O3.C31H27F5N6O2.C28H22F6N4O2/c1-3-23-17-26(10-12-34(23)38)32-8-5-13-39-35(32)27(14-22-15-28(36)20-29(37)16-22)19-30(40)18-25-7-4-6-24-9-11-31(41-2)21-33(24)25;1-31(2)6-7-33(40,41)28-25(31)27(29(36)37)45-46(28)16-22(47)12-18(9-17-10-20(34)14-21(35)11-17)26-23(5-4-8-43-26)19-13-24(32(3,38)39)30(42)44-15-19;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-17-27(14-37)29(31(34,35)36)40-42(17)16-24(44)11-20(8-19-9-22(32)13-23(33)10-19)28-25(6-5-7-38-28)21-12-26(18(2)43)30(39-15-21)41(3)4;1-15(39)24-12-18(5-6-25(24)31)23-4-3-7-35-26(23)19(8-17-9-20(29)13-21(30)10-17)11-22(40)14-38-16(2)36-27(37-38)28(32,33)34/h1,4-13,15-17,20-21,27H,14,18-19H2,2H3;4-5,8,10-11,13-15,18,29H,6-7,9,12,16H2,1-3H3,(H2,42,44);3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;5-7,9-10,12-13,15,20H,8,11,16H2,1-4H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;18-;2*20-;19-/m11111/s1.
What are the key properties of 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one?
1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one has a molecular weight of 2981.87 g/mol, XLogP of 35.59, 48 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[3-[5-acetyl-6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4,4-dimethyl-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one is sourced from PubChem (CID 159381776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).