1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one

C156H125F32N19O8 — CID 157236463

IUPAC1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cnc1N.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C35H26F3NO2.C32H28F5N5O2.C31H25F10N5O.C30H24F8N4O.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;1-18-28(16-38)31(32(35,36)37)40-42(18)17-25(44)13-22(10-20-11-23(33)15-24(34)12-20)30-26(6-5-9-39-30)21-7-8-29(41(3)4)27(14-21)19(2)43;1-29(36,37)22-11-17(13-44-28(22)42)21-3-2-6-43-24(21)16(7-15-8-18(32)12-19(33)9-15)10-20(47)14-46-26-23(25(45-46)27(34)35)30(38,39)4-5-31(26,40)41;1-16-4-5-18(14-40-16)23-3-2-8-39-25(23)19(9-17-10-20(31)13-21(32)11-17)12-22(43)15-42-27-24(26(41-42)28(33)34)29(35,36)6-7-30(27,37)38;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;5-9,11-12,14-15,22H,10,13,17H2,1-4H3;2-3,6,8-9,11-13,16,27H,4-5,7,10,14H2,1H3,(H2,42,44);2-5,8,10-11,13-14,19,28H,6-7,9,12,15H2,1H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;22-;16-;2*19-/m11111/s1
InChIKeyAURRFIYXCZRTDA-ZLPJLIGMSA-N
MW3001.78 g/mol
LogP36.83
Rot. Bonds47

About 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 157236463) has the molecular formula C156H125F32N19O8 and a molecular weight of 3001.78 g/mol. Its IUPAC name is 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 CID157236463
Molecular FormulaC156H125F32N19O8
Molecular Weight3001.78 g/mol
Exact Mass2999.94
IUPAC Name1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cnc1N.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C35H26F3NO2.C32H28F5N5O2.C31H25F10N5O.C30H24F8N4O.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;1-18-28(16-38)31(32(35,36)37)40-42(18)17-25(44)13-22(10-20-11-23(33)15-24(34)12-20)30-26(6-5-9-39-30)21-7-8-29(41(3)4)27(14-21)19(2)43;1-29(36,37)22-11-17(13-44-28(22)42)21-3-2-6-43-24(21)16(7-15-8-18(32)12-19(33)9-15)10-20(47)14-46-26-23(25(45-46)27(34)35)30(38,39)4-5-31(26,40)41;1-16-4-5-18(14-40-16)23-3-2-8-39-25(23)19(9-17-10-20(31)13-21(32)11-17)12-22(43)15-42-27-24(26(41-42)28(33)34)29(35,36)6-7-30(27,37)38;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;5-9,11-12,14-15,22H,10,13,17H2,1-4H3;2-3,6,8-9,11-13,16,27H,4-5,7,10,14H2,1H3,(H2,42,44);2-5,8,10-11,13-14,19,28H,6-7,9,12,15H2,1H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;22-;16-;2*19-/m11111/s1
InChIKeyAURRFIYXCZRTDA-ZLPJLIGMSA-N
XLogP36.83
TPSA356.17 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.78
LogP ≤ 536.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 157236463) is 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cnc1N.Cc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 AURRFIYXCZRTDA-ZLPJLIGMSA-N. The full InChI is InChI=1S/C35H26F3NO2.C32H28F5N5O2.C31H25F10N5O.C30H24F8N4O.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;1-18-28(16-38)31(32(35,36)37)40-42(18)17-25(44)13-22(10-20-11-23(33)15-24(34)12-20)30-26(6-5-9-39-30)21-7-8-29(41(3)4)27(14-21)19(2)43;1-29(36,37)22-11-17(13-44-28(22)42)21-3-2-6-43-24(21)16(7-15-8-18(32)12-19(33)9-15)10-20(47)14-46-26-23(25(45-46)27(34)35)30(38,39)4-5-31(26,40)41;1-16-4-5-18(14-40-16)23-3-2-8-39-25(23)19(9-17-10-20(31)13-21(32)11-17)12-22(43)15-42-27-24(26(41-42)28(33)34)29(35,36)6-7-30(27,37)38;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;5-9,11-12,14-15,22H,10,13,17H2,1-4H3;2-3,6,8-9,11-13,16,27H,4-5,7,10,14H2,1H3,(H2,42,44);2-5,8,10-11,13-14,19,28H,6-7,9,12,15H2,1H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;22-;16-;2*19-/m11111/s1.
What are the key properties of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 3001.78 g/mol, XLogP of 36.83, 47 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-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;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-methyl-3-pyridinyl)-2-pyridinyl]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 157236463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).