bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate

C84H77F4N7O14 — CID 159536200

IUPACbis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1
InChIInChI=1S/3C23H21FN2O4.C15H14FNO2/c1-29-22(28)16-3-8-20(25-14-16)15-26-11-9-18(13-21(26)27)23(10-2-12-30-23)17-4-6-19(24)7-5-17;2*24-19-5-3-17(4-6-19)23(9-1-11-30-23)18-8-10-26(22(29)12-18)14-20-7-2-16(13-25-20)21(28)15-27;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12/h3-9,11,13-14H,2,10,12,15H2,1H3;2*2-8,10,12-13,27H,1,9,11,14-15H2;2-6,8,10H,1,7,9H2,(H,17,18)
InChIKeyMDPVAJMIUBOMRB-UHFFFAOYSA-N
MW1484.57 g/mol
LogP11.16
Rot. Bonds19

About bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate

bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate (PubChem CID 159536200) has the molecular formula C84H77F4N7O14 and a molecular weight of 1484.57 g/mol. Its IUPAC name is bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namebis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
PubChem CID159536200
Molecular FormulaC84H77F4N7O14
Molecular Weight1484.57 g/mol
Exact Mass1483.55
IUPAC Namebis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1
InChIInChI=1S/3C23H21FN2O4.C15H14FNO2/c1-29-22(28)16-3-8-20(25-14-16)15-26-11-9-18(13-21(26)27)23(10-2-12-30-23)17-4-6-19(24)7-5-17;2*24-19-5-3-17(4-6-19)23(9-1-11-30-23)18-8-10-26(22(29)12-18)14-20-7-2-16(13-25-20)21(28)15-27;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12/h3-9,11,13-14H,2,10,12,15H2,1H3;2*2-8,10,12-13,27H,1,9,11,14-15H2;2-6,8,10H,1,7,9H2,(H,17,18)
InChIKeyMDPVAJMIUBOMRB-UHFFFAOYSA-N
XLogP11.16
TPSA275.35 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.57
LogP ≤ 511.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

1-amino-5,5,5-trifluoropentan-2-one;methyl 5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylate;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]indolizine-8-carboxylic acid;5-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)indolizine-8-carboxamide
CID 158080984
methyl 6-formylpyridine-3-carboxylate;methyl 6-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-3-carboxylate;6-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-3-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 165073859
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylic acid;1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 157088989
4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[6-(2-hydroxyacetyl)-3-pyridinyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 5-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-2-carboxylate
CID 157898516
Ethyl 5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-6-(2-methylpropyl)-4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-1,4-dihydropyridine-3-carboxylate;ethyl 5-carbamoyl-2-[2-(4-fluorophenyl)ethyl]-6-(2-methylpropyl)-4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]pyridine-3-carboxylate
CID 158851274
3-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-fluoro-4-[2-(4-fluorophenyl)oxetan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one
CID 159324015
N-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-morpholin-4-ylpropanamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-(oxan-4-yl)acetamide;N-[3,3-bis(4-fluorophenyl)propyl]oxolane-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 159510176
4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]benzamide;4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one;4-[2-[4-[2-(4-fluorophenyl)oxolan-2-yl]phenyl]ethyl]-N-hydroxybenzamide;4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]phenyl]methyl]-N-hydroxybenzamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-methyloxolan-2-yl)pyridin-2-one;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-propan-2-yloxolan-2-yl)pyridin-2-one
CID 160519184
3-(2,3-difluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid;3-(2,3-difluorophenyl)-5-(5-methyl-2-pyridinyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 160548977
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;methyl 6-[[3-fluoro-N-(pyridine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
CID 161631925
3-[(E,3R)-3-[[(2S)-1-[(2S)-2-[[(4S,7S)-8-amino-7-cyclohexyl-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-8-ethoxy-8-oxooct-6-enoyl]pyridine-4-carboxylic acid;4-[(E,3R)-3-[[(2S)-1-[(2S)-2-[[(4S,7S)-8-amino-7-cyclohexyl-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-8-ethoxy-8-oxooct-6-enoyl]pyridine-3-carboxylic acid;ethyl (E,6R)-6-[[(2S)-1-[(2S)-2-[[(4S,7S)-8-amino-7-cyclohexyl-2-methyl-5,8-dioxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-8-oxonon-2-enoate;pyridine-3-carboxylic acid
CID 161724440
5-fluoro-4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;4-[2-(4-fluorophenyl)oxan-2-yl]-1-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridin-2-one;5-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]pyridine-2-carboxamide;4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[4-(hydroxycarbamoyl)phenyl]benzamide;1-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-(2-pyridin-4-yloxolan-2-yl)pyridin-2-one
CID 161942631

Frequently Asked Questions

What is the IUPAC name of bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The IUPAC name of bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate (CID 159536200) is bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The canonical SMILES for bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=C(CO)c1ccc(Cn2ccc(C3(c4ccc(F)cc4)CCCO3)cc2=O)nc1.O=c1cc(C2(c3ccc(F)cc3)CCCO2)cc[nH]1.
What is the InChIKey of bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The InChIKey is MDPVAJMIUBOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H21FN2O4.C15H14FNO2/c1-29-22(28)16-3-8-20(25-14-16)15-26-11-9-18(13-21(26)27)23(10-2-12-30-23)17-4-6-19(24)7-5-17;2*24-19-5-3-17(4-6-19)23(9-1-11-30-23)18-8-10-26(22(29)12-18)14-20-7-2-16(13-25-20)21(28)15-27;16-13-4-2-11(3-5-13)15(7-1-9-19-15)12-6-8-17-14(18)10-12/h3-9,11,13-14H,2,10,12,15H2,1H3;2*2-8,10,12-13,27H,1,9,11,14-15H2;2-6,8,10H,1,7,9H2,(H,17,18).
What are the key properties of bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate has a molecular weight of 1484.57 g/mol, XLogP of 11.16, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[2-(4-fluorophenyl)oxolan-2-yl]-1-[[5-(2-hydroxyacetyl)-2-pyridinyl]methyl]pyridin-2-one);4-[2-(4-fluorophenyl)oxolan-2-yl]-1H-pyridin-2-one;methyl 6-[[4-[2-(4-fluorophenyl)oxolan-2-yl]-2-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 159536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).