(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one

C157H129F26N15O15 — CID 158945784

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cccc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2N=C(C(F)(F)F)C3CN(C)CCC32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(=O)O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(=O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(O)CC3)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C32H30F6N4O2.C32H27F6N3O3.C32H25F6N3O3.C32H26F2N2O3.C29H21F6N3O4/c1-18(43)26-14-20(5-6-28(26)35)25-4-3-8-39-30(25)21(10-19-11-22(33)15-23(34)12-19)13-24(44)16-42-29-7-9-41(2)17-27(29)31(40-42)32(36,37)38;2*1-17(42)27-13-19(4-7-28(27)35)25-3-2-8-39-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-41-29-15-23(43)5-6-26(29)31(40-41)32(36,37)38;1-20(37)28-17-22(11-12-29(28)34)27-9-5-13-35-32(27)24(14-21-6-4-8-25(33)15-21)16-26(38)19-36-30-10-3-2-7-23(30)18-31(36)39;1-15(39)23-11-17(4-5-25(23)32)22-3-2-6-36-26(22)18(7-16-8-19(30)12-20(31)9-16)10-21(40)13-38-14-24(28(41)42)27(37-38)29(33,34)35/h3-6,8,11-12,14-15,21,27,29H,7,9-10,13,16-17H2,1-2H3;2-4,7-8,10-11,13-14,20,23,43H,5-6,9,12,15-16H2,1H3;2-4,7-8,10-11,13-14,20H,5-6,9,12,15-16H2,1H3;2-13,15,17,24H,14,16,18-19H2,1H3;2-6,8-9,11-12,14,18H,7,10,13H2,1H3,(H,41,42)/t21-,27?,29?;20-,23?;20-;24-;18-/m11111/s1
InChIKeyJKUOOEJSRKTPPK-ACNGBKAZSA-N
MW2959.80 g/mol
LogP31.63
Rot. Bonds46

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one (PubChem CID 158945784) has the molecular formula C157H129F26N15O15 and a molecular weight of 2959.80 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one
PubChem CID158945784
Molecular FormulaC157H129F26N15O15
Molecular Weight2959.80 g/mol
Exact Mass2957.94
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cccc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2N=C(C(F)(F)F)C3CN(C)CCC32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(=O)O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(=O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(O)CC3)Cc2cc(F)cc(F)c2)ccc1F
InChIInChI=1S/C32H30F6N4O2.C32H27F6N3O3.C32H25F6N3O3.C32H26F2N2O3.C29H21F6N3O4/c1-18(43)26-14-20(5-6-28(26)35)25-4-3-8-39-30(25)21(10-19-11-22(33)15-23(34)12-19)13-24(44)16-42-29-7-9-41(2)17-27(29)31(40-42)32(36,37)38;2*1-17(42)27-13-19(4-7-28(27)35)25-3-2-8-39-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-41-29-15-23(43)5-6-26(29)31(40-41)32(36,37)38;1-20(37)28-17-22(11-12-29(28)34)27-9-5-13-35-32(27)24(14-21-6-4-8-25(33)15-21)16-26(38)19-36-30-10-3-2-7-23(30)18-31(36)39;1-15(39)23-11-17(4-5-25(23)32)22-3-2-6-36-26(22)18(7-16-8-19(30)12-20(31)9-16)10-21(40)13-38-14-24(28(41)42)27(37-38)29(33,34)35/h3-6,8,11-12,14-15,21,27,29H,7,9-10,13,16-17H2,1-2H3;2-4,7-8,10-11,13-14,20,23,43H,5-6,9,12,15-16H2,1H3;2-4,7-8,10-11,13-14,20H,5-6,9,12,15-16H2,1H3;2-13,15,17,24H,14,16,18-19H2,1H3;2-6,8-9,11-12,14,18H,7,10,13H2,1H3,(H,41,42)/t21-,27?,29?;20-,23?;20-;24-;18-/m11111/s1
InChIKeyJKUOOEJSRKTPPK-ACNGBKAZSA-N
XLogP31.63
TPSA402.36 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms213
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002959.80
LogP ≤ 531.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one (CID 158945784) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cccc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2N=C(C(F)(F)F)C3CN(C)CCC32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(=O)O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(=O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one?
The InChIKey is JKUOOEJSRKTPPK-ACNGBKAZSA-N. The full InChI is InChI=1S/C32H30F6N4O2.C32H27F6N3O3.C32H25F6N3O3.C32H26F2N2O3.C29H21F6N3O4/c1-18(43)26-14-20(5-6-28(26)35)25-4-3-8-39-30(25)21(10-19-11-22(33)15-23(34)12-19)13-24(44)16-42-29-7-9-41(2)17-27(29)31(40-42)32(36,37)38;2*1-17(42)27-13-19(4-7-28(27)35)25-3-2-8-39-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-41-29-15-23(43)5-6-26(29)31(40-41)32(36,37)38;1-20(37)28-17-22(11-12-29(28)34)27-9-5-13-35-32(27)24(14-21-6-4-8-25(33)15-21)16-26(38)19-36-30-10-3-2-7-23(30)18-31(36)39;1-15(39)23-11-17(4-5-25(23)32)22-3-2-6-36-26(22)18(7-16-8-19(30)12-20(31)9-16)10-21(40)13-38-14-24(28(41)42)27(37-38)29(33,34)35/h3-6,8,11-12,14-15,21,27,29H,7,9-10,13,16-17H2,1-2H3;2-4,7-8,10-11,13-14,20,23,43H,5-6,9,12,15-16H2,1H3;2-4,7-8,10-11,13-14,20H,5-6,9,12,15-16H2,1H3;2-13,15,17,24H,14,16,18-19H2,1H3;2-6,8-9,11-12,14,18H,7,10,13H2,1H3,(H,41,42)/t21-,27?,29?;20-,23?;20-;24-;18-/m11111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one has a molecular weight of 2959.80 g/mol, XLogP of 31.63, 46 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one is sourced from PubChem (CID 158945784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).