1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one

C27H32FN7OS — CID 130283570

About 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one

1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one (PubChem CID 130283570) has the molecular formula C27H32FN7OS and a molecular weight of 521.67 g/mol. Its IUPAC name is 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one
• PubChem CID: 130283570
• Molecular Formula: C27H32FN7OS
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.24
• IUPAC Name: 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one
• SMILES: CCc1nc2ccc(C3CCN(C(=O)CCNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)ns1
• InChI: InChI=1S/C27H32FN7OS/c1-4-22-26(33(3)27-31-25(32-37-27)19-5-8-21(28)9-6-19)35-17-20(7-10-23(35)30-22)18-12-15-34(16-13-18)24(36)11-14-29-2/h5-10,17-18,29H,4,11-16H2,1-3H3
• InChIKey: KTKSSLLOLZNSDY-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one?

The IUPAC name of 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one (CID 130283570) is 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one.

What is the SMILES notation for 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one?

The canonical SMILES for 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one is CCc1nc2ccc(C3CCN(C(=O)CCNC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)ns1.

What is the InChIKey of 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one?

The InChIKey is KTKSSLLOLZNSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7OS/c1-4-22-26(33(3)27-31-25(32-37-27)19-5-8-21(28)9-6-19)35-17-20(7-10-23(35)30-22)18-12-15-34(16-13-18)24(36)11-14-29-2/h5-10,17-18,29H,4,11-16H2,1-3H3.

What are the key properties of 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one?

1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one has a molecular weight of 521.67 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one is sourced from PubChem (CID 130283570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).