3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride

C101H108ClF2N9O20 — CID 160880188

IUPAC3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCC(=O)c1c[nH]cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(OCc2ccccc2)c1=O.Cl.O=C(O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(O)c1=O
InChIInChI=1S/C26H25FN2O4.C24H30N2O5.C19H22N2O3.C18H17FN2O5.C14H13NO3.ClH/c1-18(30)23-15-28(16-24(25(23)31)33-17-19-6-3-2-4-7-19)14-22-8-5-13-29(22)26(32)20-9-11-21(27)12-10-20;1-17(27)20-14-25(13-19-11-8-12-26(19)23(29)31-24(2,3)4)15-21(22(20)28)30-16-18-9-6-5-7-10-18;1-14(22)17-11-21(10-16-8-5-9-20-16)12-18(19(17)23)24-13-15-6-3-2-4-7-15;19-12-5-3-11(4-6-12)17(24)21-7-1-2-13(21)8-20-9-14(18(25)26)16(23)15(22)10-20;1-10(16)12-7-15-8-13(14(12)17)18-9-11-5-3-2-4-6-11;/h2-4,6-7,9-12,15-16,22H,5,8,13-14,17H2,1H3;5-7,9-10,14-15,19H,8,11-13,16H2,1-4H3;2-4,6-7,11-12,16,20H,5,8-10,13H2,1H3;3-6,9-10,13,22H,1-2,7-8H2,(H,25,26);2-8H,9H2,1H3,(H,15,17);1H/t22-;19-;16-;13-;;/m0000../s1
InChIKeyWZOIGGOOTWJVKH-RSJCCRQRSA-N
MW1841.47 g/mol
LogP14.76
Rot. Bonds27

About 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride

3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride (PubChem CID 160880188) has the molecular formula C101H108ClF2N9O20 and a molecular weight of 1841.47 g/mol. Its IUPAC name is 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride
PubChem CID160880188
Molecular FormulaC101H108ClF2N9O20
Molecular Weight1841.47 g/mol
Exact Mass1839.74
IUPAC Name3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride
SMILESCC(=O)c1c[nH]cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(OCc2ccccc2)c1=O.Cl.O=C(O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(O)c1=O
InChIInChI=1S/C26H25FN2O4.C24H30N2O5.C19H22N2O3.C18H17FN2O5.C14H13NO3.ClH/c1-18(30)23-15-28(16-24(25(23)31)33-17-19-6-3-2-4-7-19)14-22-8-5-13-29(22)26(32)20-9-11-21(27)12-10-20;1-17(27)20-14-25(13-19-11-8-12-26(19)23(29)31-24(2,3)4)15-21(22(20)28)30-16-18-9-6-5-7-10-18;1-14(22)17-11-21(10-16-8-5-9-20-16)12-18(19(17)23)24-13-15-6-3-2-4-7-15;19-12-5-3-11(4-6-12)17(24)21-7-1-2-13(21)8-20-9-14(18(25)26)16(23)15(22)10-20;1-10(16)12-7-15-8-13(14(12)17)18-9-11-5-3-2-4-6-11;/h2-4,6-7,9-12,15-16,22H,5,8,13-14,17H2,1H3;5-7,9-10,14-15,19H,8,11-13,16H2,1-4H3;2-4,6-7,11-12,16,20H,5,8-10,13H2,1H3;3-6,9-10,13,22H,1-2,7-8H2,(H,25,26);2-8H,9H2,1H3,(H,15,17);1H/t22-;19-;16-;13-;;/m0000../s1
InChIKeyWZOIGGOOTWJVKH-RSJCCRQRSA-N
XLogP14.76
TPSA365.78 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.47
LogP ≤ 514.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

5-hydroxy-4-oxo-1-[[(2S)-1-phenacyloxycarbonylpyrrolidin-2-yl]methyl]pyridine-3-carboxylic acid
CID 58067632
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
5-hydroxy-4-oxo-1-[[1-[[2-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-2-yl]methyl]pyridine-3-carboxylic acid
CID 58067482
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
tert-butyl 2-[2-[3-fluoro-5-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]ethyl]pyrrolidine-1-carboxylate
CID 169242234
tert-butyl 2-[(4-fluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 103846096
tert-butyl 2-[(2-phenylmethoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 60557581
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
tert-butyl 2-[[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 71631349
[4-(6-amino-5-hydroxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;4-(6-amino-5-phenylmethoxy-3-pyridinyl)benzoic acid;[4-(6-amino-5-phenylmethoxy-3-pyridinyl)phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene;5-bromo-3-phenylmethoxypyridin-2-amine;1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 162250559
tert-butyl (2S)-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 122386269

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride (CID 160880188) is 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride is CC(=O)c1c[nH]cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1=O.CC(=O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(OCc2ccccc2)c1=O.Cl.O=C(O)c1cn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc(O)c1=O.
What is the InChIKey of 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride?
The InChIKey is WZOIGGOOTWJVKH-RSJCCRQRSA-N. The full InChI is InChI=1S/C26H25FN2O4.C24H30N2O5.C19H22N2O3.C18H17FN2O5.C14H13NO3.ClH/c1-18(30)23-15-28(16-24(25(23)31)33-17-19-6-3-2-4-7-19)14-22-8-5-13-29(22)26(32)20-9-11-21(27)12-10-20;1-17(27)20-14-25(13-19-11-8-12-26(19)23(29)31-24(2,3)4)15-21(22(20)28)30-16-18-9-6-5-7-10-18;1-14(22)17-11-21(10-16-8-5-9-20-16)12-18(19(17)23)24-13-15-6-3-2-4-7-15;19-12-5-3-11(4-6-12)17(24)21-7-1-2-13(21)8-20-9-14(18(25)26)16(23)15(22)10-20;1-10(16)12-7-15-8-13(14(12)17)18-9-11-5-3-2-4-6-11;/h2-4,6-7,9-12,15-16,22H,5,8,13-14,17H2,1H3;5-7,9-10,14-15,19H,8,11-13,16H2,1-4H3;2-4,6-7,11-12,16,20H,5,8-10,13H2,1H3;3-6,9-10,13,22H,1-2,7-8H2,(H,25,26);2-8H,9H2,1H3,(H,15,17);1H/t22-;19-;16-;13-;;/m0000../s1.
What are the key properties of 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride?
3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride has a molecular weight of 1841.47 g/mol, XLogP of 14.76, 27 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-phenylmethoxypyridin-4-one;3-acetyl-5-phenylmethoxy-1H-pyridin-4-one;3-acetyl-5-phenylmethoxy-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one;tert-butyl (2S)-2-[(3-acetyl-4-oxo-5-phenylmethoxy-1-pyridinyl)methyl]pyrrolidine-1-carboxylate;1-[[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methyl]-5-hydroxy-4-oxopyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 160880188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).