1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one

C56H60F2N8O6S2 — CID 123839808

About 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one

1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one (PubChem CID 123839808) has the molecular formula C56H60F2N8O6S2 and a molecular weight of 1043.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one
• PubChem CID: 123839808
• Molecular Formula: C56H60F2N8O6S2
• Molecular Weight: 1043.28 g/mol
• Exact Mass: 1042.40
• IUPAC Name: 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one
• SMILES: CC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(CN5CCOCC5)n4C)sc23)c(F)c1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1
• InChI: InChI=1S/C28H29FN4O3S.C28H31FN4O3S/c1-32-20(17-33-8-10-35-11-9-33)16-31-28(32)26-15-23-27(37-26)25(6-7-30-23)36-24-5-4-19(14-22(24)29)13-21(34)12-18-2-3-18;1-18(2)12-21(34)13-19-4-5-24(22(29)14-19)36-25-6-7-30-23-15-26(37-27(23)25)28-31-16-20(32(28)3)17-33-8-10-35-11-9-33/h4-7,14-16,18H,2-3,8-13,17H2,1H3;4-7,14-16,18H,8-13,17H2,1-3H3
• InChIKey: HOOIFHJPGNOPHC-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 138.96 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.28
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one?

The IUPAC name of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one (CID 123839808) is 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one.

What is the SMILES notation for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one?

The canonical SMILES for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one is CC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(CN5CCOCC5)n4C)sc23)c(F)c1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1.

What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one?

The InChIKey is HOOIFHJPGNOPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3S.C28H31FN4O3S/c1-32-20(17-33-8-10-35-11-9-33)16-31-28(32)26-15-23-27(37-26)25(6-7-30-23)36-24-5-4-19(14-22(24)29)13-21(34)12-18-2-3-18;1-18(2)12-21(34)13-19-4-5-24(22(29)14-19)36-25-6-7-30-23-15-26(37-27(23)25)28-31-16-20(32(28)3)17-33-8-10-35-11-9-33/h4-7,14-16,18H,2-3,8-13,17H2,1H3;4-7,14-16,18H,8-13,17H2,1-3H3.

What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one?

1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one has a molecular weight of 1043.28 g/mol, XLogP of 10.99, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one is sourced from PubChem (CID 123839808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).