(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile

C92H74BrF12N9O8 — CID 158544833

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(Br)c(C#N)n2)Cc2cc(F)cc(F)c2)ccc1F.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1nc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C34H29F3N2O3.C30H25F6N3O3.C28H20BrF3N4O2/c1-19-11-23-6-7-24(32(23)39-34(19)42-3)15-28(41)16-25(12-21-13-26(35)18-27(36)14-21)33-29(5-4-10-38-33)22-8-9-31(37)30(17-22)20(2)40;1-17(40)26-12-19(5-6-27(26)33)25-4-3-7-37-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(41)15-39-14-21(16-42-2)29(38-39)30(34,35)36;1-16(37)24-11-18(4-5-26(24)32)23-3-2-6-34-28(23)19(7-17-8-20(30)12-21(31)9-17)10-22(38)14-36-15-25(29)27(13-33)35-36/h4-5,7-11,13-14,17-18,25H,6,12,15-16H2,1-3H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,15,19H,7,10,14H2,1H3/t25-;20-;19-/m111/s1
InChIKeyHOZGEEJLDGFUSX-VWCVKDHXSA-N
MW1741.54 g/mol
LogP20.30
Rot. Bonds30

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile (PubChem CID 158544833) has the molecular formula C92H74BrF12N9O8 and a molecular weight of 1741.54 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile
PubChem CID158544833
Molecular FormulaC92H74BrF12N9O8
Molecular Weight1741.54 g/mol
Exact Mass1739.47
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(Br)c(C#N)n2)Cc2cc(F)cc(F)c2)ccc1F.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1nc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1
InChIInChI=1S/C34H29F3N2O3.C30H25F6N3O3.C28H20BrF3N4O2/c1-19-11-23-6-7-24(32(23)39-34(19)42-3)15-28(41)16-25(12-21-13-26(35)18-27(36)14-21)33-29(5-4-10-38-33)22-8-9-31(37)30(17-22)20(2)40;1-17(40)26-12-19(5-6-27(26)33)25-4-3-7-37-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(41)15-39-14-21(16-42-2)29(38-39)30(34,35)36;1-16(37)24-11-18(4-5-26(24)32)23-3-2-6-34-28(23)19(7-17-8-20(30)12-21(31)9-17)10-22(38)14-36-15-25(29)27(13-33)35-36/h4-5,7-11,13-14,17-18,25H,6,12,15-16H2,1-3H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,15,19H,7,10,14H2,1H3/t25-;20-;19-/m111/s1
InChIKeyHOZGEEJLDGFUSX-VWCVKDHXSA-N
XLogP20.30
TPSA231.87 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.54
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile with MolForge

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Related Compounds

(4R)-4-[3-bromo-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroisoindol-1-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
CID 158171432
(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-bromo-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-(3,6-dibromo-2-pyridinyl)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158325260
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one
CID 159154724
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 159698683
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one
CID 160027296
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 161365707

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile (CID 158544833) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(Br)c(C#N)n2)Cc2cc(F)cc(F)c2)ccc1F.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1nc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(C)=O)c1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile?
The InChIKey is HOZGEEJLDGFUSX-VWCVKDHXSA-N. The full InChI is InChI=1S/C34H29F3N2O3.C30H25F6N3O3.C28H20BrF3N4O2/c1-19-11-23-6-7-24(32(23)39-34(19)42-3)15-28(41)16-25(12-21-13-26(35)18-27(36)14-21)33-29(5-4-10-38-33)22-8-9-31(37)30(17-22)20(2)40;1-17(40)26-12-19(5-6-27(26)33)25-4-3-7-37-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(41)15-39-14-21(16-42-2)29(38-39)30(34,35)36;1-16(37)24-11-18(4-5-26(24)32)23-3-2-6-34-28(23)19(7-17-8-20(30)12-21(31)9-17)10-22(38)14-36-15-25(29)27(13-33)35-36/h4-5,7-11,13-14,17-18,25H,6,12,15-16H2,1-3H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,15,19H,7,10,14H2,1H3/t25-;20-;19-/m111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile has a molecular weight of 1741.54 g/mol, XLogP of 20.30, 30 rotatable bonds, 0 hydrogen bond donors, and 17 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-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-bromopyrazole-3-carbonitrile is sourced from PubChem (CID 158544833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).