1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

C132H190F3N15O18 — CID 157373268

IUPAC1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO
InChIInChI=1S/2C15H23NO2.C14H15FN2O.C14H21NO2.C13H17F2NO.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7,9,11-12,15H,5-6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3/t13-,14+;;;;;;11-,12+;;;/m0.....0.../s1
InChIKeyBKAABEXPAAYYSY-HSOWMJCYSA-N
MW2332.05 g/mol
LogP21.05
Rot. Bonds37

About 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol

1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (PubChem CID 157373268) has the molecular formula C132H190F3N15O18 and a molecular weight of 2332.05 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
PubChem CID157373268
Molecular FormulaC132H190F3N15O18
Molecular Weight2332.05 g/mol
Exact Mass2330.44
IUPAC Name1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
SMILESCC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO
InChIInChI=1S/2C15H23NO2.C14H15FN2O.C14H21NO2.C13H17F2NO.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7,9,11-12,15H,5-6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3/t13-,14+;;;;;;11-,12+;;;/m0.....0.../s1
InChIKeyBKAABEXPAAYYSY-HSOWMJCYSA-N
XLogP21.05
TPSA400.47 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.05
LogP ≤ 521.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol with MolForge

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Launch Full Analysis

Related Compounds

1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;methane;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 158332527
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 158532908
1-cyclohexyl-3-(2-methylpropyl)pyridin-2-one;1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-4-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 159504485
2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 159915068
1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]methyl]propane-1,3-diol
CID 160054427
1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 160889878
1-(2-Cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;3-(2-methylpropyl)-1-(oxolan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol
CID 163598174
CID 167678462
CID 167678462

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The IUPAC name of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol (CID 157373268) is 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol.
What is the SMILES notation for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The canonical SMILES for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is CC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn(C2CC(F)(F)C2)c1=O.CC(C)Cc1cccn(C2CCCOC2)c1=O.CC(C)Cc1cccn(CC2CCCCO2)c1=O.CC(C)Cc1cccn([C@H]2CCC[C@@H](O)C2)c1=O.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccn(CCOC2CC2)c1=O.CC(C)Nc1cccnc1OC(CO)CO.
What is the InChIKey of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
The InChIKey is BKAABEXPAAYYSY-HSOWMJCYSA-N. The full InChI is InChI=1S/2C15H23NO2.C14H15FN2O.C14H21NO2.C13H17F2NO.C13H20N2O2.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-11(2)9-12-5-4-8-16(15(12)18)13-6-3-7-14(17)10-13;1-12(2)10-13-6-5-8-16(15(13)17)11-14-7-3-4-9-18-14;1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;1-11(2)9-12-5-3-7-15(14(12)16)13-6-4-8-17-10-13;1-9(2)6-10-4-3-5-16(12(10)17)11-7-13(14,15)8-11;1-10(2)14-12-4-3-7-15(13(12)16)8-9-17-11-5-6-11;1-9(2)8-10-4-3-7-14(13(10)16)11-5-6-12(11)15;1-9(2)8-10-4-3-5-11(13-10)14-6-7-16-12(14)15;1-9(2)6-10-4-3-5-12(13-10)14-7-11(15)8-14;1-8(2)13-10-4-3-5-12-11(10)16-9(6-14)7-15/h4-5,8,11,13-14,17H,3,6-7,9-10H2,1-2H3;5-6,8,12,14H,3-4,7,9-11H2,1-2H3;3-8,10H,9H2,1-2H3;3,5,7,11,13H,4,6,8-10H2,1-2H3;3-5,9,11H,6-8H2,1-2H3;3-4,7,10-11,14H,5-6,8-9H2,1-2H3;3-4,7,9,11-12,15H,5-6,8H2,1-2H3;3-5,9H,6-8H2,1-2H3;3-5,9,11,15H,6-8H2,1-2H3;3-5,8-9,13-15H,6-7H2,1-2H3/t13-,14+;;;;;;11-,12+;;;/m0.....0.../s1.
What are the key properties of 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol?
1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol has a molecular weight of 2332.05 g/mol, XLogP of 21.05, 37 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one;1-(3,3-difluorocyclobutyl)-3-(2-methylpropyl)pyridin-2-one;2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one;1-[(1S,2R)-2-hydroxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;1-[(1S,3R)-3-hydroxycyclohexyl]-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyridin-2-one;3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one;1-[6-(2-methylpropyl)-2-pyridinyl]azetidin-3-ol;3-[6-(2-methylpropyl)-2-pyridinyl]-1,3-oxazolidin-2-one;2-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propane-1,3-diol is sourced from PubChem (CID 157373268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).