(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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one

C158H132F19N14O13+ — CID 160454853

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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCC1=CC=C(C=C1)C2=C(N=CNC2=O)C(CC3=CC(=CC(=C3)F)F)CC(=O)CC4=CCC5=C4C=C(C=C5)F.CC(=O)C1=CC=CC(=C1)C2=CN=CN=C2[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)C[N+]4=CCC5=C4C=C(C=C5)O.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC=C3)F)CC(=O)CN4C(=O)CC5=CC=CC=C54)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CN(CC5)C)C(=N4)C(F)(F)F)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CCC(C5)O)C(=N4)C(F)(F)F)F
InChIInChI=1S/C32H28F6N4O2.C32H27F6N3O3.C32H26F2N2O3.C31H25F3N2O2.C31H25F2N3O3/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;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;1-18-2-4-21(5-3-18)29-30(35-17-36-31(29)38)23(10-19-11-25(33)15-26(34)12-19)14-27(37)13-22-7-6-20-8-9-24(32)16-28(20)22;1-19(37)22-3-2-4-23(12-22)29-16-34-18-35-31(29)24(9-20-10-25(32)14-26(33)11-20)13-28(39)17-36-8-7-21-5-6-27(38)15-30(21)36/h3-6,8,11-12,14-15,21H,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;2-13,15,17,24H,14,16,18-19H2,1H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38);2-6,8,10-12,14-16,18,24H,7,9,13,17H2,1H3/p+1/t21-;20-,23?;24-;;24-/m111.1/s1
InChIKeyYISLTPNRZCNHNS-FWITXHSPSA-O
MW2795.80 g/mol
LogP—
Rot. Bonds44

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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 160454853) has the molecular formula C158H132F19N14O13+ and a molecular weight of 2795.80 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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID160454853
Molecular FormulaC158H132F19N14O13+
Molecular Weight2795.80 g/mol
Exact Mass2794.98
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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCC1=CC=C(C=C1)C2=C(N=CNC2=O)C(CC3=CC(=CC(=C3)F)F)CC(=O)CC4=CCC5=C4C=C(C=C5)F.CC(=O)C1=CC=CC(=C1)C2=CN=CN=C2[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)C[N+]4=CCC5=C4C=C(C=C5)O.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC=C3)F)CC(=O)CN4C(=O)CC5=CC=CC=C54)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CN(CC5)C)C(=N4)C(F)(F)F)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CCC(C5)O)C(=N4)C(F)(F)F)F
InChIInChI=1S/C32H28F6N4O2.C32H27F6N3O3.C32H26F2N2O3.C31H25F3N2O2.C31H25F2N3O3/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;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;1-18-2-4-21(5-3-18)29-30(35-17-36-31(29)38)23(10-19-11-25(33)15-26(34)12-19)14-27(37)13-22-7-6-20-8-9-24(32)16-28(20)22;1-19(37)22-3-2-4-23(12-22)29-16-34-18-35-31(29)24(9-20-10-25(32)14-26(33)11-20)13-28(39)17-36-8-7-21-5-6-27(38)15-30(21)36/h3-6,8,11-12,14-15,21H,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;2-13,15,17,24H,14,16,18-19H2,1H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38);2-6,8,10-12,14-16,18,24H,7,9,13,17H2,1H3/p+1/t21-;20-,23?;24-;;24-/m111.1/s1
InChIKeyYISLTPNRZCNHNS-FWITXHSPSA-O
XLogP—
TPSA362.00 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms204
Complexity4730

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002795.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one (CID 160454853) 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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one is CC1=CC=C(C=C1)C2=C(N=CNC2=O)C(CC3=CC(=CC(=C3)F)F)CC(=O)CC4=CCC5=C4C=C(C=C5)F.CC(=O)C1=CC=CC(=C1)C2=CN=CN=C2[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)C[N+]4=CCC5=C4C=C(C=C5)O.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC=C3)F)CC(=O)CN4C(=O)CC5=CC=CC=C54)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CN(CC5)C)C(=N4)C(F)(F)F)F.CC(=O)C1=C(C=CC(=C1)C2=C(N=CC=C2)[C@H](CC3=CC(=CC(=C3)F)F)CC(=O)CN4C5=C(CCC(C5)O)C(=N4)C(F)(F)F)F.
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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is YISLTPNRZCNHNS-FWITXHSPSA-O. The full InChI is InChI=1S/C32H28F6N4O2.C32H27F6N3O3.C32H26F2N2O3.C31H25F3N2O2.C31H25F2N3O3/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;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;1-18-2-4-21(5-3-18)29-30(35-17-36-31(29)38)23(10-19-11-25(33)15-26(34)12-19)14-27(37)13-22-7-6-20-8-9-24(32)16-28(20)22;1-19(37)22-3-2-4-23(12-22)29-16-34-18-35-31(29)24(9-20-10-25(32)14-26(33)11-20)13-28(39)17-36-8-7-21-5-6-27(38)15-30(21)36/h3-6,8,11-12,14-15,21H,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;2-13,15,17,24H,14,16,18-19H2,1H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38);2-6,8,10-12,14-16,18,24H,7,9,13,17H2,1H3/p+1/t21-;20-,23?;24-;;24-/m111.1/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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 2795.80 g/mol, XLogP of not available, 44 rotatable bonds, 3 hydrogen bond donors, and 41 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)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-indol-1-ium-1-yl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 160454853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).