(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one

C163H132F27N17O10 — CID 158624683

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
SMILESC#Cc1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)ccn1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(C(=O)OC(C)(C)C)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1C1CC1CC2
InChIInChI=1S/C36H34F6N4O4.C33H27F5N4O.C32H26F7N3O2.C32H23F3N2O.C30H22F6N4O2/c1-20(47)29-16-22(7-8-30(29)39)27-6-5-10-43-32(27)23(12-21-13-24(37)17-25(38)14-21)15-26(48)18-46-31-19-45(34(49)50-35(2,3)4)11-9-28(31)33(44-46)36(40,41)42;34-23-10-18(11-24(35)15-23)9-21(30-26(4-2-8-39-30)22-12-20-3-1-5-29(20)40-16-22)13-25(43)17-42-31-27(7-6-19-14-28(19)31)32(41-42)33(36,37)38;1-17(43)26-14-19(6-7-27(26)35)24-5-3-9-40-28(24)20(10-18-11-21(33)15-22(34)12-18)13-23(44)16-42-30-25(29(41-42)31(36)37)4-2-8-32(30,38)39;1-2-28-15-23(9-11-36-28)30-4-3-10-37-32(30)24(12-20-13-26(34)18-27(35)14-20)17-29(38)16-22-6-5-21-7-8-25(33)19-31(21)22;1-16-26(14-37)29(30(34,35)36)39-40(16)15-23(42)11-20(8-18-9-21(31)13-22(32)10-18)28-24(4-3-7-38-28)19-5-6-27(33)25(12-19)17(2)41/h5-8,10,13-14,16-17,23H,9,11-12,15,18-19H2,1-4H3;1-4,8,10-12,15-16,19,21,28H,5-7,9,13-14,17H2;3,5-7,9,11-12,14-15,20,31H,2,4,8,10,13,16H2,1H3;1,3-4,6-11,13-15,18-19,24H,5,12,16-17H2;3-7,9-10,12-13,20H,8,11,15H2,1-2H3/t23-;19?,21-,28?;20-;24-;20-/m11111/s1
InChIKeyHYLAQMBOEZUUQY-UCVHTMISSA-N
MW3001.90 g/mol
LogP36.63
Rot. Bonds44

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one (PubChem CID 158624683) has the molecular formula C163H132F27N17O10 and a molecular weight of 3001.90 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
PubChem CID158624683
Molecular FormulaC163H132F27N17O10
Molecular Weight3001.90 g/mol
Exact Mass2999.99
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
SMILESC#Cc1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)ccn1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(C(=O)OC(C)(C)C)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1C1CC1CC2
InChIInChI=1S/C36H34F6N4O4.C33H27F5N4O.C32H26F7N3O2.C32H23F3N2O.C30H22F6N4O2/c1-20(47)29-16-22(7-8-30(29)39)27-6-5-10-43-32(27)23(12-21-13-24(37)17-25(38)14-21)15-26(48)18-46-31-19-45(34(49)50-35(2,3)4)11-9-28(31)33(44-46)36(40,41)42;34-23-10-18(11-24(35)15-23)9-21(30-26(4-2-8-39-30)22-12-20-3-1-5-29(20)40-16-22)13-25(43)17-42-31-27(7-6-19-14-28(19)31)32(41-42)33(36,37)38;1-17(43)26-14-19(6-7-27(26)35)24-5-3-9-40-28(24)20(10-18-11-21(33)15-22(34)12-18)13-23(44)16-42-30-25(29(41-42)31(36)37)4-2-8-32(30,38)39;1-2-28-15-23(9-11-36-28)30-4-3-10-37-32(30)24(12-20-13-26(34)18-27(35)14-20)17-29(38)16-22-6-5-21-7-8-25(33)19-31(21)22;1-16-26(14-37)29(30(34,35)36)39-40(16)15-23(42)11-20(8-18-9-21(31)13-22(32)10-18)28-24(4-3-7-38-28)19-5-6-27(33)25(12-19)17(2)41/h5-8,10,13-14,16-17,23H,9,11-12,15,18-19H2,1-4H3;1-4,8,10-12,15-16,19,21,28H,5-7,9,13-14,17H2;3,5-7,9,11-12,14-15,20,31H,2,4,8,10,13,16H2,1H3;1,3-4,6-11,13-15,18-19,24H,5,12,16-17H2;3-7,9-10,12-13,20H,8,11,15H2,1-2H3/t23-;19?,21-,28?;20-;24-;20-/m11111/s1
InChIKeyHYLAQMBOEZUUQY-UCVHTMISSA-N
XLogP36.63
TPSA351.40 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.90
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one (CID 158624683) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one is C#Cc1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)ccn1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(C(=O)OC(C)(C)C)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1C1CC1CC2.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?
The InChIKey is HYLAQMBOEZUUQY-UCVHTMISSA-N. The full InChI is InChI=1S/C36H34F6N4O4.C33H27F5N4O.C32H26F7N3O2.C32H23F3N2O.C30H22F6N4O2/c1-20(47)29-16-22(7-8-30(29)39)27-6-5-10-43-32(27)23(12-21-13-24(37)17-25(38)14-21)15-26(48)18-46-31-19-45(34(49)50-35(2,3)4)11-9-28(31)33(44-46)36(40,41)42;34-23-10-18(11-24(35)15-23)9-21(30-26(4-2-8-39-30)22-12-20-3-1-5-29(20)40-16-22)13-25(43)17-42-31-27(7-6-19-14-28(19)31)32(41-42)33(36,37)38;1-17(43)26-14-19(6-7-27(26)35)24-5-3-9-40-28(24)20(10-18-11-21(33)15-22(34)12-18)13-23(44)16-42-30-25(29(41-42)31(36)37)4-2-8-32(30,38)39;1-2-28-15-23(9-11-36-28)30-4-3-10-37-32(30)24(12-20-13-26(34)18-27(35)14-20)17-29(38)16-22-6-5-21-7-8-25(33)19-31(21)22;1-16-26(14-37)29(30(34,35)36)39-40(16)15-23(42)11-20(8-18-9-21(31)13-22(32)10-18)28-24(4-3-7-38-28)19-5-6-27(33)25(12-19)17(2)41/h5-8,10,13-14,16-17,23H,9,11-12,15,18-19H2,1-4H3;1-4,8,10-12,15-16,19,21,28H,5-7,9,13-14,17H2;3,5-7,9,11-12,14-15,20,31H,2,4,8,10,13,16H2,1H3;1,3-4,6-11,13-15,18-19,24H,5,12,16-17H2;3-7,9-10,12-13,20H,8,11,15H2,1-2H3/t23-;19?,21-,28?;20-;24-;20-/m11111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one has a molecular weight of 3001.90 g/mol, XLogP of 36.63, 44 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;(4R)-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one is sourced from PubChem (CID 158624683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).