4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate

C121H102F5IN12O10S5 — CID 158488121

About 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate

4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate (PubChem CID 158488121) has the molecular formula C121H102F5IN12O10S5 and a molecular weight of 2266.45 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate
• PubChem CID: 158488121
• Molecular Formula: C121H102F5IN12O10S5
• Molecular Weight: 2266.45 g/mol
• Exact Mass: 2264.54
• IUPAC Name: 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate
• SMILES: CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)csc12.COC(=O)c1cnc(N)c2c(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)csc12.Nc1ncc(C(=O)O)c2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12.Nc1ncc(I)c2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12.Nc1nccc2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12
• InChI: InChI=1S/C30H33FN4O2S.C24H19FN2O3S.C23H17FN2O3S.C22H16FIN2OS.C22H17FN2OS/c1-3-35(4-2)14-6-13-33-30(37)25-18-34-29(32)27-26(19-38-28(25)27)22-11-9-20(10-12-22)16-24(36)17-21-7-5-8-23(31)15-21;1-30-24(29)19-12-27-23(26)21-20(13-31-22(19)21)16-7-5-14(6-8-16)10-18(28)11-15-3-2-4-17(25)9-15;24-16-3-1-2-14(8-16)10-17(27)9-13-4-6-15(7-5-13)19-12-30-21-18(23(28)29)11-26-22(25)20(19)21;23-16-3-1-2-14(8-16)10-17(27)9-13-4-6-15(7-5-13)18-12-28-21-19(24)11-26-22(25)20(18)21;23-17-3-1-2-15(10-17)12-18(26)11-14-4-6-16(7-5-14)19-13-27-20-8-9-25-22(24)21(19)20/h5,7-12,15,18-19H,3-4,6,13-14,16-17H2,1-2H3,(H2,32,34)(H,33,37);2-9,12-13H,10-11H2,1H3,(H2,26,27);1-8,11-12H,9-10H2,(H2,25,26)(H,28,29);1-8,11-12H,9-10H2,(H2,25,26);1-10,13H,11-12H2,(H2,24,25)
• InChIKey: HIIWTVPFXAHFJD-UHFFFAOYSA-N
• XLogP: 25.75
• TPSA: 375.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.45
LogP ≤ 5	25.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate?

The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate (CID 158488121) is 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate.

What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate?

The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate is CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)csc12.COC(=O)c1cnc(N)c2c(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)csc12.Nc1ncc(C(=O)O)c2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12.Nc1ncc(I)c2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12.Nc1nccc2scc(-c3ccc(CC(=O)Cc4cccc(F)c4)cc3)c12.

What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate?

The InChIKey is HIIWTVPFXAHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O2S.C24H19FN2O3S.C23H17FN2O3S.C22H16FIN2OS.C22H17FN2OS/c1-3-35(4-2)14-6-13-33-30(37)25-18-34-29(32)27-26(19-38-28(25)27)22-11-9-20(10-12-22)16-24(36)17-21-7-5-8-23(31)15-21;1-30-24(29)19-12-27-23(26)21-20(13-31-22(19)21)16-7-5-14(6-8-16)10-18(28)11-15-3-2-4-17(25)9-15;24-16-3-1-2-14(8-16)10-17(27)9-13-4-6-15(7-5-13)19-12-30-21-18(23(28)29)11-26-22(25)20(19)21;23-16-3-1-2-14(8-16)10-17(27)9-13-4-6-15(7-5-13)18-12-28-21-19(24)11-26-22(25)20(18)21;23-17-3-1-2-15(10-17)12-18(26)11-14-4-6-16(7-5-14)19-13-27-20-8-9-25-22(24)21(19)20/h5,7-12,15,18-19H,3-4,6,13-14,16-17H2,1-2H3,(H2,32,34)(H,33,37);2-9,12-13H,10-11H2,1H3,(H2,26,27);1-8,11-12H,9-10H2,(H2,25,26)(H,28,29);1-8,11-12H,9-10H2,(H2,25,26);1-10,13H,11-12H2,(H2,24,25).

What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate?

4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate has a molecular weight of 2266.45 g/mol, XLogP of 25.75, 34 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[3-(diethylamino)propyl]-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylic acid;1-[4-(4-amino-7-iodothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-fluorophenyl)propan-2-one;methyl 4-amino-3-[4-[3-(3-fluorophenyl)-2-oxopropyl]phenyl]thieno[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 158488121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).