(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one

C29H24F3N3O — CID 152976672

IUPAC(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one
SMILESCn1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C29H24F3N3O/c1-35-17-22(16-34-35)27-3-2-8-33-29(27)21(9-18-10-24(31)14-25(32)11-18)13-26(36)12-20-5-4-19-6-7-23(30)15-28(19)20/h2-3,5-8,10-11,14-17,21H,4,9,12-13H2,1H3/t21-/m1/s1
InChIKeyUTNXCSUNOWMDHX-OAQYLSRUSA-N
MW487.53 g/mol
LogP6.21
Rot. Bonds8

About (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one (PubChem CID 152976672) has the molecular formula C29H24F3N3O and a molecular weight of 487.53 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one
PubChem CID152976672
Molecular FormulaC29H24F3N3O
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one
SMILESCn1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C29H24F3N3O/c1-35-17-22(16-34-35)27-3-2-8-33-29(27)21(9-18-10-24(31)14-25(32)11-18)13-26(36)12-20-5-4-19-6-7-23(30)15-28(19)20/h2-3,5-8,10-11,14-17,21H,4,9,12-13H2,1H3/t21-/m1/s1
InChIKeyUTNXCSUNOWMDHX-OAQYLSRUSA-N
XLogP6.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-(3-pyridin-3-yl-2-pyridinyl)pentan-2-one
CID 152945139
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]pentan-2-one
CID 148914381
2-chloro-4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide
CID 147184600
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
CID 157220268
4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 158323800
4-[6-amino-3-(3-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
CID 149489425
4-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
CID 158130879
(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one
CID 158575213
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one
CID 158246258
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-methyl-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;5-methyl-1H-indene;2-(6-methyl-3H-inden-1-yl)acetic acid;methyl 2-(6-methyl-3H-inden-1-yl)acetate;methyl 2-(6-methyl-3H-inden-1-yl)-2-oxoacetate;hydrate
CID 161146848
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid
CID 159649152
5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158419722

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one (CID 152976672) is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one is Cn1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cn1.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one?
The InChIKey is UTNXCSUNOWMDHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H24F3N3O/c1-35-17-22(16-34-35)27-3-2-8-33-29(27)21(9-18-10-24(31)14-25(32)11-18)13-26(36)12-20-5-4-19-6-7-23(30)15-28(19)20/h2-3,5-8,10-11,14-17,21H,4,9,12-13H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one has a molecular weight of 487.53 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 152976672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).