1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide

C73H79ClFN7O4S — CID 159237105

About 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide

1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 159237105) has the molecular formula C73H79ClFN7O4S and a molecular weight of 1205.00 g/mol. Its IUPAC name is 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
• PubChem CID: 159237105
• Molecular Formula: C73H79ClFN7O4S
• Molecular Weight: 1205.00 g/mol
• Exact Mass: 1203.56
• IUPAC Name: 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
• SMILES: CC(=O)c1cc(-c2cccnc2C(C)C)ccc1Cl.CC(=O)c1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(S(N)(=O)=O)cc1.CC(C)c1ncccc1C#CC1CC1.Cc1ccccc1-c1ccnc(C(C)C)n1
• InChI: InChI=1S/C16H16ClNO.C16H16FNO.C14H16N2O2S.C14H16N2.C13H15N/c2*1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-10(2)14-13(4-3-9-16-14)11-5-7-12(8-6-11)19(15,17)18;1-10(2)14-15-9-8-13(16-14)12-7-5-4-6-11(12)3;1-10(2)13-12(4-3-9-14-13)8-7-11-5-6-11/h2*4-10H,1-3H3;3-10H,1-2H3,(H2,15,17,18);4-10H,1-3H3;3-4,9-11H,5-6H2,1-2H3
• InChIKey: KTPRRXOQXRBXMF-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 171.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.00
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The IUPAC name of 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide (CID 159237105) is 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide.

What is the SMILES notation for 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The canonical SMILES for 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide is CC(=O)c1cc(-c2cccnc2C(C)C)ccc1Cl.CC(=O)c1cc(-c2cccnc2C(C)C)ccc1F.CC(C)c1ncccc1-c1ccc(S(N)(=O)=O)cc1.CC(C)c1ncccc1C#CC1CC1.Cc1ccccc1-c1ccnc(C(C)C)n1.

What is the InChIKey of 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?

The InChIKey is KTPRRXOQXRBXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO.C16H16FNO.C14H16N2O2S.C14H16N2.C13H15N/c2*1-10(2)16-13(5-4-8-18-16)12-6-7-15(17)14(9-12)11(3)19;1-10(2)14-13(4-3-9-16-14)11-5-7-12(8-6-11)19(15,17)18;1-10(2)14-15-9-8-13(16-14)12-7-5-4-6-11(12)3;1-10(2)13-12(4-3-9-14-13)8-7-11-5-6-11/h2*4-10H,1-3H3;3-10H,1-2H3,(H2,15,17,18);4-10H,1-3H3;3-4,9-11H,5-6H2,1-2H3.

What are the key properties of 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide?

1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 1205.00 g/mol, XLogP of 18.00, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(2-cyclopropylethynyl)-2-propan-2-ylpyridine;1-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;4-(2-methylphenyl)-2-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 159237105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).