(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one

C97H106FN7O11 — CID 158683765

IUPAC(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
SMILESC[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@@H](C(=O)CCc1ccccc1)c1ccncc1.O=C(CCc1ccccc1)C(CO)c1ccncc1.O=C(CCc1ccccc1)[C@H](CO)c1ccncc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1
InChIInChI=1S/C18H20O2.C17H19FN2O.C16H18N2O.2C16H17NO2.C14H15NO3/c1-14-7-5-6-10-16(14)17(13-19)18(20)12-11-15-8-3-2-4-9-15;1-17(12-19,14-5-7-15(18)8-6-14)16(21)9-4-13-3-2-10-20-11-13;17-12-15(14-8-10-18-11-9-14)16(19)7-6-13-4-2-1-3-5-13;2*18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12/h2-10,17,19H,11-13H2,1H3;2-3,5-8,10-11H,4,9,12,19H2,1H3;1-5,8-11,15H,6-7,12,17H2;2*1-5,8-11,15,18H,6-7,12H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;2*15-;;13-/m.011.0/s1
InChIKeyIFLWDIAMNQXZHJ-SPZVVKEISA-N
MW1564.95 g/mol
LogP14.91
Rot. Bonds36

About (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one

(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one (PubChem CID 158683765) has the molecular formula C97H106FN7O11 and a molecular weight of 1564.95 g/mol. Its IUPAC name is (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
PubChem CID158683765
Molecular FormulaC97H106FN7O11
Molecular Weight1564.95 g/mol
Exact Mass1563.79
IUPAC Name(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
SMILESC[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@@H](C(=O)CCc1ccccc1)c1ccncc1.O=C(CCc1ccccc1)C(CO)c1ccncc1.O=C(CCc1ccccc1)[C@H](CO)c1ccncc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1
InChIInChI=1S/C18H20O2.C17H19FN2O.C16H18N2O.2C16H17NO2.C14H15NO3/c1-14-7-5-6-10-16(14)17(13-19)18(20)12-11-15-8-3-2-4-9-15;1-17(12-19,14-5-7-15(18)8-6-14)16(21)9-4-13-3-2-10-20-11-13;17-12-15(14-8-10-18-11-9-14)16(19)7-6-13-4-2-1-3-5-13;2*18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12/h2-10,17,19H,11-13H2,1H3;2-3,5-8,10-11H,4,9,12,19H2,1H3;1-5,8-11,15H,6-7,12,17H2;2*1-5,8-11,15,18H,6-7,12H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;2*15-;;13-/m.011.0/s1
InChIKeyIFLWDIAMNQXZHJ-SPZVVKEISA-N
XLogP14.91
TPSA312.97 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001564.95
LogP ≤ 514.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
CID 157120836
(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;1-hydroxy-2-(2-methoxyphenyl)-5-phenylpentan-3-one;1-hydroxy-2-(3-methoxyphenyl)-5-phenylpentan-3-one;1-hydroxy-2-(4-methoxyphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
CID 160159100

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one?
The IUPAC name of (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one (CID 158683765) is (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one.
What is the SMILES notation for (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one?
The canonical SMILES for (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one is C[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@@H](C(=O)CCc1ccccc1)c1ccncc1.O=C(CCc1ccccc1)C(CO)c1ccncc1.O=C(CCc1ccccc1)[C@H](CO)c1ccncc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1.
What is the InChIKey of (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one?
The InChIKey is IFLWDIAMNQXZHJ-SPZVVKEISA-N. The full InChI is InChI=1S/C18H20O2.C17H19FN2O.C16H18N2O.2C16H17NO2.C14H15NO3/c1-14-7-5-6-10-16(14)17(13-19)18(20)12-11-15-8-3-2-4-9-15;1-17(12-19,14-5-7-15(18)8-6-14)16(21)9-4-13-3-2-10-20-11-13;17-12-15(14-8-10-18-11-9-14)16(19)7-6-13-4-2-1-3-5-13;2*18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12/h2-10,17,19H,11-13H2,1H3;2-3,5-8,10-11H,4,9,12,19H2,1H3;1-5,8-11,15H,6-7,12,17H2;2*1-5,8-11,15,18H,6-7,12H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;2*15-;;13-/m.011.0/s1.
What are the key properties of (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one?
(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one has a molecular weight of 1564.95 g/mol, XLogP of 14.91, 36 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2S)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one is sourced from PubChem (CID 158683765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).