1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone

C29H33FN6OS — CID 90420577

About 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone

1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone (PubChem CID 90420577) has the molecular formula C29H33FN6OS and a molecular weight of 532.69 g/mol. Its IUPAC name is 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone
• PubChem CID: 90420577
• Molecular Formula: C29H33FN6OS
• Molecular Weight: 532.69 g/mol
• Exact Mass: 532.24
• IUPAC Name: 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone
• SMILES: CCc1nc2ccc(C3CCN(C4CN(C(C)=O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C29H33FN6OS/c1-4-25-28(33(3)29-32-26(18-38-29)21-5-8-23(30)9-6-21)36-15-22(7-10-27(36)31-25)20-11-13-34(14-12-20)24-16-35(17-24)19(2)37/h5-10,15,18,20,24H,4,11-14,16-17H2,1-3H3
• InChIKey: PCDNBXRGGMPGNR-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 56.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.69
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone?

The IUPAC name of 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone (CID 90420577) is 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone is CCc1nc2ccc(C3CCN(C4CN(C(C)=O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone?

The InChIKey is PCDNBXRGGMPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6OS/c1-4-25-28(33(3)29-32-26(18-38-29)21-5-8-23(30)9-6-21)36-15-22(7-10-27(36)31-25)20-11-13-34(14-12-20)24-16-35(17-24)19(2)37/h5-10,15,18,20,24H,4,11-14,16-17H2,1-3H3.

What are the key properties of 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone?

1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone has a molecular weight of 532.69 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 90420577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).