(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

C93H102FN7O13 — CID 157120836

IUPAC(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
SMILESC[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccc1)[C@@H](CO)c1ccncc1.O=C(CCc1ccccn1)C(CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1
InChIInChI=1S/C18H20O2.C17H19FN2O.C16H17NO2.C14H16N2O2.2C14H15NO3/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;18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;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;1-5,8-11,15,18H,6-7,12H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;15-;13-;12-;/m.0001./s1
InChIKeyAHYKGDBNXBTNJD-PQDHYPMESA-N
MW1544.87 g/mol
LogP14.09
Rot. Bonds36

About (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

(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 (PubChem CID 157120836) has the molecular formula C93H102FN7O13 and a molecular weight of 1544.87 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157120836
Molecular FormulaC93H102FN7O13
Molecular Weight1544.87 g/mol
Exact Mass1543.75
IUPAC Name(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
SMILESC[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccc1)[C@@H](CO)c1ccncc1.O=C(CCc1ccccn1)C(CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1
InChIInChI=1S/C18H20O2.C17H19FN2O.C16H17NO2.C14H16N2O2.2C14H15NO3/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;18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;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;1-5,8-11,15,18H,6-7,12H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;15-;13-;12-;/m.0001./s1
InChIKeyAHYKGDBNXBTNJD-PQDHYPMESA-N
XLogP14.09
TPSA339.25 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001544.87
LogP ≤ 514.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

2,3-Bis(2-deuteriobenzoyl)-2,3-dihydroxybutanedioate;bis(16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene)
CID 141569523
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
CID 157255137
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@](CN)(C(=O)CCc1cccnc1)c1ccc(F)cc1.Cc1ccccc1C(CO)C(=O)CCc1ccccc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccc1)[C@@H](CO)c1ccncc1.O=C(CCc1ccccn1)C(CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.
What is the InChIKey of (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?
The InChIKey is AHYKGDBNXBTNJD-PQDHYPMESA-N. The full InChI is InChI=1S/C18H20O2.C17H19FN2O.C16H17NO2.C14H16N2O2.2C14H15NO3/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;18-12-15(14-8-10-17-11-9-14)16(19)7-6-13-4-2-1-3-5-13;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;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;1-5,8-11,15,18H,6-7,12H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2/t;17-;15-;13-;12-;/m.0001./s1.
What are the key properties of (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?
(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 has a molecular weight of 1544.87 g/mol, XLogP of 14.09, 36 rotatable bonds, 6 hydrogen bond donors, and 20 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;(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 is sourced from PubChem (CID 157120836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).