1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one

C157H147F8N17O12S5 — CID 157385571

About 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 157385571) has the molecular formula C157H147F8N17O12S5 and a molecular weight of 2776.33 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

• Compound Name: 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
• PubChem CID: 157385571
• Molecular Formula: C157H147F8N17O12S5
• Molecular Weight: 2776.33 g/mol
• Exact Mass: 2773.99
• IUPAC Name: 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one
• SMILES: CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=C(C)CN=C5C)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(C(F)(F)F)c5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(OC)c5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5ccccc5OC)cc4F)c3s2)nc1.CCCNCc1cccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)n1
• InChI: InChI=1S/C32H27F4N3O2S.2C32H30FN3O3S.C31H31FN4O2S.C30H29FN4O2S/c1-2-11-37-18-22-6-8-26(39-19-22)30-17-27-31(42-30)29(10-12-38-27)41-28-9-7-21(16-25(28)33)15-24(40)14-20-4-3-5-23(13-20)32(34,35)36;1-3-12-34-19-23-7-9-27(36-20-23)31-18-28-32(40-31)30(11-13-35-28)39-29-10-8-22(17-26(29)33)15-24(37)14-21-5-4-6-25(16-21)38-2;1-3-13-34-19-22-8-10-26(36-20-22)31-18-27-32(40-31)30(12-14-35-27)39-29-11-9-21(16-25(29)33)15-24(37)17-23-6-4-5-7-28(23)38-2;1-4-10-33-17-22-5-7-26(36-18-22)30-15-27-31(39-30)29(9-11-34-27)38-28-8-6-21(13-25(28)32)12-23(37)14-24-19(2)16-35-20(24)3;1-3-10-32-18-21-5-4-6-25(35-21)29-16-26-30(38-29)28(9-11-33-26)37-27-8-7-20(14-24(27)31)13-23(36)15-22-12-19(2)17-34-22/h3-10,12-13,16-17,19,37H,2,11,14-15,18H2,1H3;4-11,13,16-18,20,34H,3,12,14-15,19H2,1-2H3;4-12,14,16,18,20,34H,3,13,15,17,19H2,1-2H3;5-9,11,13,15,18,33H,4,10,12,14,16-17H2,1-3H3;4-9,11-12,14,16,32H,3,10,13,15,17-18H2,1-2H3
• InChIKey: BLJTUOUFSQEXRS-UHFFFAOYSA-N
• XLogP: 36.24
• TPSA: 363.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 57
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2776.33
LogP ≤ 5	36.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?

The IUPAC name of 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 157385571) is 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one.

What is the SMILES notation for 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?

The canonical SMILES for 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one is CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=C(C)CN=C5C)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(C(F)(F)F)c5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(OC)c5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5ccccc5OC)cc4F)c3s2)nc1.CCCNCc1cccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)n1.

What is the InChIKey of 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?

The InChIKey is BLJTUOUFSQEXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F4N3O2S.2C32H30FN3O3S.C31H31FN4O2S.C30H29FN4O2S/c1-2-11-37-18-22-6-8-26(39-19-22)30-17-27-31(42-30)29(10-12-38-27)41-28-9-7-21(16-25(28)33)15-24(40)14-20-4-3-5-23(13-20)32(34,35)36;1-3-12-34-19-23-7-9-27(36-20-23)31-18-28-32(40-31)30(11-13-35-28)39-29-10-8-22(17-26(29)33)15-24(37)14-21-5-4-6-25(16-21)38-2;1-3-13-34-19-22-8-10-26(36-20-22)31-18-27-32(40-31)30(12-14-35-27)39-29-11-9-21(16-25(29)33)15-24(37)17-23-6-4-5-7-28(23)38-2;1-4-10-33-17-22-5-7-26(36-18-22)30-15-27-31(39-30)29(9-11-34-27)38-28-8-6-21(13-25(28)32)12-23(37)14-24-19(2)16-35-20(24)3;1-3-10-32-18-21-5-4-6-25(35-21)29-16-26-30(38-29)28(9-11-33-26)37-27-8-7-20(14-24(27)31)13-23(36)15-22-12-19(2)17-34-22/h3-10,12-13,16-17,19,37H,2,11,14-15,18H2,1H3;4-11,13,16-18,20,34H,3,12,14-15,19H2,1-2H3;4-12,14,16,18,20,34H,3,13,15,17,19H2,1-2H3;5-9,11,13,15,18,33H,4,10,12,14,16-17H2,1-3H3;4-9,11-12,14,16,32H,3,10,13,15,17-18H2,1-2H3.

What are the key properties of 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one?

1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 2776.33 g/mol, XLogP of 36.24, 57 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethyl-2H-pyrrol-4-yl)-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-fluoro-4-[2-[6-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 157385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).