1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine

C93H91F11N10O7S3 — CID 161322599

About 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine

1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine (PubChem CID 161322599) has the molecular formula C93H91F11N10O7S3 and a molecular weight of 1765.99 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine
• PubChem CID: 161322599
• Molecular Formula: C93H91F11N10O7S3
• Molecular Weight: 1765.99 g/mol
• Exact Mass: 1764.61
• IUPAC Name: 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine
• SMILES: COc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.FC1(F)CCNC1.FC1(F)CCNCC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)C5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)CC5)cn4)sc23)c(F)c1)CC1CC1
• InChI: InChI=1S/C30H28F3N3O2S.C29H26F3N3O2S.C25H21FN2O3S.C5H9F2N.C4H7F2N/c31-23-15-20(14-22(37)13-19-1-2-19)4-6-26(23)38-27-7-10-34-25-16-28(39-29(25)27)24-5-3-21(17-35-24)18-36-11-8-30(32,33)9-12-36;30-22-13-19(12-21(36)11-18-1-2-18)4-6-25(22)37-26-7-9-33-24-14-27(38-28(24)26)23-5-3-20(15-34-23)16-35-10-8-29(31,32)17-35;1-30-18-5-6-20(28-14-18)24-13-21-25(32-24)23(8-9-27-21)31-22-7-4-16(12-19(22)26)11-17(29)10-15-2-3-15;6-5(7)1-3-8-4-2-5;5-4(6)1-2-7-3-4/h3-7,10,15-17,19H,1-2,8-9,11-14,18H2;3-7,9,13-15,18H,1-2,8,10-12,16-17H2;4-9,12-15H,2-3,10-11H2,1H3;8H,1-4H2;7H,1-3H2
• InChIKey: VKINIIWWZZXYEH-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 196.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.99
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine?

The IUPAC name of 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine (CID 161322599) is 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine.

What is the SMILES notation for 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine?

The canonical SMILES for 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine is COc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.FC1(F)CCNC1.FC1(F)CCNCC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)C5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(F)(F)CC5)cn4)sc23)c(F)c1)CC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine?

The InChIKey is VKINIIWWZZXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O2S.C29H26F3N3O2S.C25H21FN2O3S.C5H9F2N.C4H7F2N/c31-23-15-20(14-22(37)13-19-1-2-19)4-6-26(23)38-27-7-10-34-25-16-28(39-29(25)27)24-5-3-21(17-35-24)18-36-11-8-30(32,33)9-12-36;30-22-13-19(12-21(36)11-18-1-2-18)4-6-25(22)37-26-7-9-33-24-14-27(38-28(24)26)23-5-3-20(15-34-23)16-35-10-8-29(31,32)17-35;1-30-18-5-6-20(28-14-18)24-13-21-25(32-24)23(8-9-27-21)31-22-7-4-16(12-19(22)26)11-17(29)10-15-2-3-15;6-5(7)1-3-8-4-2-5;5-4(6)1-2-7-3-4/h3-7,10,15-17,19H,1-2,8-9,11-14,18H2;3-7,9,13-15,18H,1-2,8,10-12,16-17H2;4-9,12-15H,2-3,10-11H2,1H3;8H,1-4H2;7H,1-3H2.

What are the key properties of 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine?

1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine has a molecular weight of 1765.99 g/mol, XLogP of 22.31, 26 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[4-[2-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-(5-methoxy-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;4,4-difluoropiperidine;3,3-difluoropyrrolidine is sourced from PubChem (CID 161322599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).