(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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

C104H113FN8O14S4 — CID 159107110

IUPAC(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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
SMILESCC(CO)(C(=O)OCc1ccccc1)c1ccccc1.CC(CO)(C(=O)OCc1ccccc1F)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/C17H17FO3.C17H18O3.C14H16N2O2.2C14H16N2OS.2C14H15NO2S/c1-17(12-19,14-8-3-2-4-9-14)16(20)21-11-13-7-5-6-10-15(13)18;1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;2*15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;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(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-10,19H,11-12H2,1H3;2-11,18H,12-13H2,1H3;2*1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;;2*12-;13-;12-;13-/m..00110/s1
InChIKeyKEAHFCKNFKKOIO-OGHYORBMSA-N
MW1846.36 g/mol
LogP17.03
Rot. Bonds40

About (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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

(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 (PubChem CID 159107110) has the molecular formula C104H113FN8O14S4 and a molecular weight of 1846.36 g/mol. Its IUPAC name is (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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.

Molecular Properties

Compound Name(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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
PubChem CID159107110
Molecular FormulaC104H113FN8O14S4
Molecular Weight1846.36 g/mol
Exact Mass1844.72
IUPAC Name(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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
SMILESCC(CO)(C(=O)OCc1ccccc1)c1ccccc1.CC(CO)(C(=O)OCc1ccccc1F)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/C17H17FO3.C17H18O3.C14H16N2O2.2C14H16N2OS.2C14H15NO2S/c1-17(12-19,14-8-3-2-4-9-14)16(20)21-11-13-7-5-6-10-15(13)18;1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;2*15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;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(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-10,19H,11-12H2,1H3;2-11,18H,12-13H2,1H3;2*1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;;2*12-;13-;12-;13-/m..00110/s1
InChIKeyKEAHFCKNFKKOIO-OGHYORBMSA-N
XLogP17.03
TPSA374.52 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.36
LogP ≤ 517.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 with MolForge

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Launch Full Analysis

Related Compounds

(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
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 157448608
4-[5-But-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine;1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
CID 158251225
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
Bis(4-[5-but-1-ynyl-2-(4-fluorophenyl)thiophen-3-yl]pyridine);1-[5-(4-fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol;bis(4-[2-(4-fluorophenyl)-5-pent-1-ynylthiophen-3-yl]pyridine);4-[2-(4-fluorophenyl)-5-(4-piperidin-1-ylbut-1-ynyl)thiophen-3-yl]pyridine
CID 160468502
Ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 160754925
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(4-methoxyphenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 161172739
(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;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-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 161412423

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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?
The IUPAC name of (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 159107110) is (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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.
What is the SMILES notation for (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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?
The canonical SMILES for (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 is CC(CO)(C(=O)OCc1ccccc1)c1ccccc1.CC(CO)(C(=O)OCc1ccccc1F)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1.
What is the InChIKey of (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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?
The InChIKey is KEAHFCKNFKKOIO-OGHYORBMSA-N. The full InChI is InChI=1S/C17H17FO3.C17H18O3.C14H16N2O2.2C14H16N2OS.2C14H15NO2S/c1-17(12-19,14-8-3-2-4-9-14)16(20)21-11-13-7-5-6-10-15(13)18;1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;2*15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;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(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-10,19H,11-12H2,1H3;2-11,18H,12-13H2,1H3;2*1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;;2*12-;13-;12-;13-/m..00110/s1.
What are the key properties of (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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?
(2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 has a molecular weight of 1846.36 g/mol, XLogP of 17.03, 40 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-(furan-2-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;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(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 is sourced from PubChem (CID 159107110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).