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

C62H86FN9O9 — CID 159915068

About 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

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 (PubChem CID 159915068) has the molecular formula C62H86FN9O9 and a molecular weight of 1120.42 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159915068
• Molecular Formula: C62H86FN9O9
• Molecular Weight: 1120.42 g/mol
• Exact Mass: 1119.65
• IUPAC Name: 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
• SMILES: CC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccnc1OC(CO)CO
• InChI: InChI=1S/C14H15FN2O.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;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/h3-8,10H,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/t;11-,12+;;;/m.0.../s1
• InChIKey: NXRCEWVJPLRQRX-VFHTXTPYSA-N
• XLogP: 8.64
• TPSA: 230.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.42
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)Cc1cccc(N2CC(O)C2)n1.CC(C)Cc1cccc(N2CCOC2=O)n1.CC(C)Cc1cccn([C@H]2CC[C@H]2O)c1=O.CC(C)Cc1ccnn(-c2ccc(F)cc2)c1=O.CC(C)Nc1cccnc1OC(CO)CO.

What is the InChIKey of 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?

The InChIKey is NXRCEWVJPLRQRX-VFHTXTPYSA-N. The full InChI is InChI=1S/C14H15FN2O.C13H19NO2.C12H16N2O2.C12H18N2O.C11H18N2O3/c1-10(2)9-11-7-8-16-17(14(11)18)13-5-3-12(15)4-6-13;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/h3-8,10H,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/t;11-,12+;;;/m.0.../s1.

What are the key properties of 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?

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 has a molecular weight of 1120.42 g/mol, XLogP of 8.64, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159915068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).