(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C124H112F5N9O8 — CID 159275286

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1.Cc1ccccc1-c1cccnc1[C@@H](Cc1ccccc1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.Cc1ccccc1-c1cccnc1[C@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1
InChIInChI=1S/C32H27F2NO3.2C31H28N2O2.C30H29F3N4O/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23;2*1-21-8-5-6-11-27(21)28-12-7-15-32-31(28)23(16-22-9-3-2-4-10-22)17-26(35)18-24-20-33-30-14-13-25(34)19-29(24)30;1-20-10-5-6-13-22(20)23-15-9-17-34-28(23)25(18-21-11-3-2-4-12-21)35-27(38)19-37-26-16-8-7-14-24(26)29(36-37)30(31,32)33/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3;2*2-15,19-20,23,33-34H,16-18H2,1H3;2-6,9-13,15,17,25H,7-8,14,16,18-19H2,1H3,(H,35,38)/t24-;2*23-;25-/m1101/s1
InChIKeyKYFQCDYSHYQJNU-HZZFTYJVSA-N
MW1951.30 g/mol
LogP26.85
Rot. Bonds32

About (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 159275286) has the molecular formula C124H112F5N9O8 and a molecular weight of 1951.30 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID159275286
Molecular FormulaC124H112F5N9O8
Molecular Weight1951.30 g/mol
Exact Mass1949.86
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1.Cc1ccccc1-c1cccnc1[C@@H](Cc1ccccc1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.Cc1ccccc1-c1cccnc1[C@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1
InChIInChI=1S/C32H27F2NO3.2C31H28N2O2.C30H29F3N4O/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23;2*1-21-8-5-6-11-27(21)28-12-7-15-32-31(28)23(16-22-9-3-2-4-10-22)17-26(35)18-24-20-33-30-14-13-25(34)19-29(24)30;1-20-10-5-6-13-22(20)23-15-9-17-34-28(23)25(18-21-11-3-2-4-12-21)35-27(38)19-37-26-16-8-7-14-24(26)29(36-37)30(31,32)33/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3;2*2-15,19-20,23,33-34H,16-18H2,1H3;2-6,9-13,15,17,25H,7-8,14,16,18-19H2,1H3,(H,35,38)/t24-;2*23-;25-/m1101/s1
InChIKeyKYFQCDYSHYQJNU-HZZFTYJVSA-N
XLogP26.85
TPSA251.19 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.30
LogP ≤ 526.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 159275286) is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1.Cc1ccccc1-c1cccnc1[C@@H](Cc1ccccc1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.Cc1ccccc1-c1cccnc1[C@H](CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1ccccc1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is KYFQCDYSHYQJNU-HZZFTYJVSA-N. The full InChI is InChI=1S/C32H27F2NO3.2C31H28N2O2.C30H29F3N4O/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23;2*1-21-8-5-6-11-27(21)28-12-7-15-32-31(28)23(16-22-9-3-2-4-10-22)17-26(35)18-24-20-33-30-14-13-25(34)19-29(24)30;1-20-10-5-6-13-22(20)23-15-9-17-34-28(23)25(18-21-11-3-2-4-12-21)35-27(38)19-37-26-16-8-7-14-24(26)29(36-37)30(31,32)33/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3;2*2-15,19-20,23,33-34H,16-18H2,1H3;2-6,9-13,15,17,25H,7-8,14,16,18-19H2,1H3,(H,35,38)/t24-;2*23-;25-/m1101/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 1951.30 g/mol, XLogP of 26.85, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;(4R)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;(4S)-1-(5-hydroxy-1H-indol-3-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 159275286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).