1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione

C108H121F3N12O10S3 — CID 158975969

About 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione

1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione (PubChem CID 158975969) has the molecular formula C108H121F3N12O10S3 and a molecular weight of 1900.42 g/mol. Its IUPAC name is 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione
• PubChem CID: 158975969
• Molecular Formula: C108H121F3N12O10S3
• Molecular Weight: 1900.42 g/mol
• Exact Mass: 1898.84
• IUPAC Name: 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione
• SMILES: CCC(=O)C1(C(=O)Cc2ccc(C)cc2)CC1.CCC(=O)CC(=O)Cc1ccccc1.CCC(=O)CC(=O)N(C)c1ccccc1.CCCNCCC(=O)N1CC=C(c2cc3nccc(Oc4ccc(C)cc4F)c3s2)CC1.CCCNCCn1cc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)cn1.CCCNCc1cnc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)n1C
• InChI: InChI=1S/C25H28FN3O2S.2C22H23FN4OS.C15H18O2.C12H15NO2.C12H14O2/c1-3-10-27-11-7-24(30)29-13-8-18(9-14-29)23-16-20-25(32-23)22(6-12-28-20)31-21-5-4-17(2)15-19(21)26;1-4-8-24-12-15-13-26-22(27(15)3)20-11-17-21(29-20)19(7-9-25-17)28-18-6-5-14(2)10-16(18)23;1-3-7-24-9-10-27-14-16(13-26-27)21-12-18-22(29-21)20(6-8-25-18)28-19-5-4-15(2)11-17(19)23;1-3-13(16)15(8-9-15)14(17)10-12-6-4-11(2)5-7-12;1-3-11(14)9-12(15)13(2)10-7-5-4-6-8-10;1-2-11(13)9-12(14)8-10-6-4-3-5-7-10/h4-6,8,12,15-16,27H,3,7,9-11,13-14H2,1-2H3;5-7,9-11,13,24H,4,8,12H2,1-3H3;4-6,8,11-14,24H,3,7,9-10H2,1-2H3;4-7H,3,8-10H2,1-2H3;4-8H,3,9H2,1-2H3;3-7H,2,8-9H2,1H3
• InChIKey: JOJZXSOKJZZATK-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 264.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.42
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione?

The IUPAC name of 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione (CID 158975969) is 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione.

What is the SMILES notation for 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione?

The canonical SMILES for 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione is CCC(=O)C1(C(=O)Cc2ccc(C)cc2)CC1.CCC(=O)CC(=O)Cc1ccccc1.CCC(=O)CC(=O)N(C)c1ccccc1.CCCNCCC(=O)N1CC=C(c2cc3nccc(Oc4ccc(C)cc4F)c3s2)CC1.CCCNCCn1cc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)cn1.CCCNCc1cnc(-c2cc3nccc(Oc4ccc(C)cc4F)c3s2)n1C.

What is the InChIKey of 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione?

The InChIKey is JOJZXSOKJZZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2S.2C22H23FN4OS.C15H18O2.C12H15NO2.C12H14O2/c1-3-10-27-11-7-24(30)29-13-8-18(9-14-29)23-16-20-25(32-23)22(6-12-28-20)31-21-5-4-17(2)15-19(21)26;1-4-8-24-12-15-13-26-22(27(15)3)20-11-17-21(29-20)19(7-9-25-17)28-18-6-5-14(2)10-16(18)23;1-3-7-24-9-10-27-14-16(13-26-27)21-12-18-22(29-21)20(6-8-25-18)28-19-5-4-15(2)11-17(19)23;1-3-13(16)15(8-9-15)14(17)10-12-6-4-11(2)5-7-12;1-3-11(14)9-12(15)13(2)10-7-5-4-6-8-10;1-2-11(13)9-12(14)8-10-6-4-3-5-7-10/h4-6,8,12,15-16,27H,3,7,9-11,13-14H2,1-2H3;5-7,9-11,13,24H,4,8,12H2,1-3H3;4-6,8,11-14,24H,3,7,9-10H2,1-2H3;4-7H,3,8-10H2,1-2H3;4-8H,3,9H2,1-2H3;3-7H,2,8-9H2,1H3.

What are the key properties of 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione?

1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione has a molecular weight of 1900.42 g/mol, XLogP of 23.43, 37 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(propylamino)propan-1-one;N-[[2-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]propan-1-amine;N-[2-[4-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl]propan-1-amine;N-methyl-3-oxo-N-phenylpentanamide;1-[1-[2-(4-methylphenyl)acetyl]cyclopropyl]propan-1-one;1-phenylhexane-2,4-dione is sourced from PubChem (CID 158975969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).