3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol

C97H107Cl6F5N6O5 — CID 159634345

About 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol

3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol (PubChem CID 159634345) has the molecular formula C97H107Cl6F5N6O5 and a molecular weight of 1744.67 g/mol. Its IUPAC name is 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol
• PubChem CID: 159634345
• Molecular Formula: C97H107Cl6F5N6O5
• Molecular Weight: 1744.67 g/mol
• Exact Mass: 1740.64
• IUPAC Name: 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol
• SMILES: C=C(C)c1cc(C2(C)CC(C)C2)cc(-c2ccc(F)c(Cl)c2)n1.CC(O)(CN)c1cc(C2(C)CC(O)C2)cc(-c2ccc(F)c(Cl)c2)n1.CC1CC(C)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.CCC(C)(O)c1cc(C2(C)CC(C)C2)cc(-c2ccc(F)c(Cl)c2)n1.CCC(C)(O)c1cc(C2(C)CC(O)C2)cc(-c2ccc(F)c(Cl)c2)n1
• InChI: InChI=1S/C21H25ClFNO.C20H23ClFNO2.C20H21ClFN.C19H22ClFN2O2.C17H16Cl2FN/c1-5-21(4,25)19-10-15(20(3)11-13(2)12-20)9-18(24-19)14-6-7-17(23)16(22)8-14;1-4-20(3,25)18-9-13(19(2)10-14(24)11-19)8-17(23-18)12-5-6-16(22)15(21)7-12;1-12(2)18-8-15(20(4)10-13(3)11-20)9-19(23-18)14-5-6-17(22)16(21)7-14;1-18(8-13(24)9-18)12-6-16(11-3-4-15(21)14(20)5-11)23-17(7-12)19(2,25)10-22;1-10-8-17(2,9-10)12-6-15(21-16(19)7-12)11-3-4-14(20)13(18)5-11/h6-10,13,25H,5,11-12H2,1-4H3;5-9,14,24-25H,4,10-11H2,1-3H3;5-9,13H,1,10-11H2,2-4H3;3-7,13,24-25H,8-10,22H2,1-2H3;3-7,10H,8-9H2,1-2H3
• InChIKey: MPNVXJCBNJFUDL-UHFFFAOYSA-N
• XLogP: 25.68
• TPSA: 191.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1744.67
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol?

The IUPAC name of 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol (CID 159634345) is 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol.

What is the SMILES notation for 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol?

The canonical SMILES for 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol is C=C(C)c1cc(C2(C)CC(C)C2)cc(-c2ccc(F)c(Cl)c2)n1.CC(O)(CN)c1cc(C2(C)CC(O)C2)cc(-c2ccc(F)c(Cl)c2)n1.CC1CC(C)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.CCC(C)(O)c1cc(C2(C)CC(C)C2)cc(-c2ccc(F)c(Cl)c2)n1.CCC(C)(O)c1cc(C2(C)CC(O)C2)cc(-c2ccc(F)c(Cl)c2)n1.

What is the InChIKey of 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol?

The InChIKey is MPNVXJCBNJFUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO.C20H23ClFNO2.C20H21ClFN.C19H22ClFN2O2.C17H16Cl2FN/c1-5-21(4,25)19-10-15(20(3)11-13(2)12-20)9-18(24-19)14-6-7-17(23)16(22)8-14;1-4-20(3,25)18-9-13(19(2)10-14(24)11-19)8-17(23-18)12-5-6-16(22)15(21)7-12;1-12(2)18-8-15(20(4)10-13(3)11-20)9-19(23-18)14-5-6-17(22)16(21)7-14;1-18(8-13(24)9-18)12-6-16(11-3-4-15(21)14(20)5-11)23-17(7-12)19(2,25)10-22;1-10-8-17(2,9-10)12-6-15(21-16(19)7-12)11-3-4-14(20)13(18)5-11/h6-10,13,25H,5,11-12H2,1-4H3;5-9,14,24-25H,4,10-11H2,1-3H3;5-9,13H,1,10-11H2,2-4H3;3-7,13,24-25H,8-10,22H2,1-2H3;3-7,10H,8-9H2,1-2H3.

What are the key properties of 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol?

3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol has a molecular weight of 1744.67 g/mol, XLogP of 25.68, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(1-amino-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutan-1-ol;2-chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;2-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-6-prop-1-en-2-ylpyridine;2-[6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)-2-pyridinyl]butan-2-ol;3-[2-(3-chloro-4-fluorophenyl)-6-(2-hydroxybutan-2-yl)-4-pyridinyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 159634345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).