2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H38FN7O2S — CID 134173523

About 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 134173523) has the molecular formula C32H38FN7O2S and a molecular weight of 603.77 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 134173523
• Molecular Formula: C32H38FN7O2S
• Molecular Weight: 603.77 g/mol
• Exact Mass: 603.28
• IUPAC Name: 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(C(CC)CCN(C)CC(=O)N3CC(CO)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C32H38FN7O2S/c1-5-22(13-14-37(3)19-29(42)39-16-21(17-39)20-41)24-9-12-28-35-26(6-2)31(40(28)18-24)38(4)32-36-30(27(15-34)43-32)23-7-10-25(33)11-8-23/h7-12,18,21-22,41H,5-6,13-14,16-17,19-20H2,1-4H3
• InChIKey: XOJLIDZDHZYTRJ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 101.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.77
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 134173523) is 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(C(CC)CCN(C)CC(=O)N3CC(CO)C3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is XOJLIDZDHZYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN7O2S/c1-5-22(13-14-37(3)19-29(42)39-16-21(17-39)20-41)24-9-12-28-35-26(6-2)31(40(28)18-24)38(4)32-36-30(27(15-34)43-32)23-7-10-25(33)11-8-23/h7-12,18,21-22,41H,5-6,13-14,16-17,19-20H2,1-4H3.

What are the key properties of 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 603.77 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-[1-[[2-[3-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]-methylamino]pentan-3-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 134173523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).